名称: 1-(1-butyryl-piperidin-4-yl)-1-(4-methyl-cyclohexyl)-3-(5-thiocyanato-thiazol-2-yl)-urea
IUPAC: [2-[[(1-butanoylpiperidin-4-yl)-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl] thiocyanate
SMILES:
CCCC(=O)N1CCC(N(C(=O)Nc2ncc(SC#N)s2)C2CCC(C)CC2)CC1Canonical SMILES:
CCCC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(=O)NC3=NC=C(S3)SC#N分子式: C21H31N5O2S2
分子量: 449.60
InChIKey: HRFYJPPXFDLQFL-UHFFFAOYSA-N
InChI:
PubChem CID: 86611189 →InChI=1S/C21H31N5O2S2/c1-3-4-18(27)25-11-9-17(10-12-25)26(16-7-5-15(2)6-8-16)21(28)24-20-23-13-19(30-20)29-14-22/h13,15-17H,3-12H2,1-2H3,(H,23,24,28)同義語
SCHEMBL999328SCHEMBL999331HRFYJPPXFDLQFL-UHFFFAOYSA-NHRFYJPPXFDLQFL-WKILWMFISA-N1-(1-butyryl-piperidin-4-yl)-1-(4-methyl-cyclohexyl)-3-(5-thiocyanato-thiazol-2-yl)-urea1-(1-butyryl-piperidin-4-yl)-1-(trans-4-methyl-cyclohexyl)-3-(5-thiocyanato-thiazol-2-yl)-urea
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