2-(4-methylphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(p-tolyl)thiazole-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-(p-tolyl)thiazole-4-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H22N4O2S/c1-15-2-6-17(7-3-15)22-25-19(14-29-22)21(28)24-12-16-4-8-18(9-5-16)26-11-10-23-20(27)13-26/h2-9,14H,10-13H2,1H3,(H,23,27)(H,24,28)