4-azanyl-N5-[(3,4-dimethylphenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(3,4-dimethylphenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(3,4-dimethylphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(3,4-dimethylphenyl)methyl]-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(3,4-dimethylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-(3,4-dimethylbenzyl)isothiazole-3,5-dicarboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H22N4O2S/c1-13-8-9-16(10-14(13)2)12-24-21(27)19-17(22)18(25-28-19)20(26)23-11-15-6-4-3-5-7-15/h3-10H,11-12,22H2,1-2H3,(H,23,26)(H,24,27)