3-[[4-chloranyl-2-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]amino]-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[[4-chloranyl-2-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]amino]-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-[4-chloro-2-(3,4,5-trimethoxybenzoyl)anilino]-2-[4-(4-isobutylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-[4-chloro-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]anilino]-2-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-[4-chloro-2-(3,4,5-trimethoxybenzoyl)anilino]-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[4-chloro-2-(3,4,5-trimethoxybenzoyl)anilino]-2-[4-(4-isobutylphenyl)thiazol-2-yl]acrylonitrile Formula: C32H30ClN3O4S MolecularWeight: 588.1163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C#N

InChI

InChI=1S/C32H30ClN3O4S/c1-19(2)12-20-6-8-21(9-7-20)27-18-41-32(36-27)23(16-34)17-35-26-11-10-24(33)15-25(26)30(37)22-13-28(38-3)31(40-5)29(14-22)39-4/h6-11,13-15,17-19,35H,12H2,1-5H3