2-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 2-(4-methylpiperazino)-N-[(3-phenoxyphenyl)thiocarbamoyl]nicotinamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2S/c1-28-13-15-29(16-14-28)22-21(11-6-12-25-22)23(30)27-24(32)26-18-7-5-10-20(17-18)31-19-8-3-2-4-9-19/h2-12,17H,13-16H2,1H3,(H2,26,27,30,32)