2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(o-tolyl)piperazin-1-yl]methyl]-N-(4-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-N-(pyridin-4-ylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[4-(o-tolyl)piperazino]methyl]-N-(4-pyridylmethyl)thiazole-4-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=NC(=CS3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=NC(=CS3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-17-4-2-3-5-20(17)27-12-10-26(11-13-27)15-21-25-19(16-29-21)22(28)24-14-18-6-8-23-9-7-18/h2-9,16H,10-15H2,1H3,(H,24,28)