N-[(4-cyanophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-(4-cyanobenzyl)-2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O3S/c1-13-19(20(25)23-12-15-6-4-14(11-22)5-7-15)28-21(24-13)16-8-9-17(26-2)18(10-16)27-3/h4-10H,12H2,1-3H3,(H,23,25)