CC(C)(C)OC(=O)N1CCC(N(C(=O)Nc2ncc(SC#N)s2)C2CCCCC2)CC1

Name: 4-[1-cyclohexyl-3-(5-thiocyanato-thiazol-2-yl)-ureido]-piperidine-1-carboxylic acid tert-butyl ester

IUPAC: tert-butyl 4-[cyclohexyl-[(5-thiocyanato-1,3-thiazol-2-yl)carbamoyl]amino]piperidine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC(N(C(=O)Nc2ncc(SC#N)s2)C2CCCCC2)CC1

Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)SC#N

Molecular formula: C21H31N5O3S2

Molecular weight: 465.60

InChIKey: WMTZABGBCXBOOE-UHFFFAOYSA-N

InChI:

InChI=1S/C21H31N5O3S2/c1-21(2,3)29-20(28)25-11-9-16(10-12-25)26(15-7-5-4-6-8-15)19(27)24-18-23-13-17(31-18)30-14-22/h13,15-16H,4-12H2,1-3H3,(H,23,24,27)

PubChem CID: 86611188 →

Synonyms

SCHEMBL1000068WMTZABGBCXBOOE-UHFFFAOYSA-N4-[1-cyclohexyl-3-(5-thiocyanato-thiazol-2-yl)-ureido]-piperidine-1-carboxylic acid tert-butyl ester

Involved in 10 reactions→