名称: (6,7-dimethoxy-4-thioureido-isoquinolin-1-ylmethyl)carbamic acid tert-butyl ester

IUPAC: tert-butyl N-[[4-(carbamothioylamino)-6,7-dimethoxyisoquinolin-1-yl]methyl]carbamate

SMILES: COc1cc2c(NC(N)=S)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

Canonical SMILES: CC(C)(C)OC(=O)NCC1=NC=C(C2=CC(=C(C=C21)OC)OC)NC(=S)N

分子式: C18H24N4O4S

分子量: 392.50

InChIKey: BBZRIHRZFNJTNA-UHFFFAOYSA-N

InChI:

InChI=1S/C18H24N4O4S/c1-18(2,3)26-17(23)21-8-12-10-6-14(24-4)15(25-5)7-11(10)13(9-20-12)22-16(19)27/h6-7,9H,8H2,1-5H3,(H,21,23)(H3,19,22,27)

同義語

SCHEMBL3361992BBZRIHRZFNJTNA-UHFFFAOYSA-N(6,7-dimethoxy-4-thioureido-isoquinolin-1-ylmethyl)carbamic acid tert-butyl ester

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