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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[(4-pentylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C23H31N5OS/c1-3-4-5-7-18-9-11-19(12-10-18)25-23(30)26-22(29)20-8-6-13-24-21(20)28-16-14-27(2)15-17-28/h6,8-13H,3-5,7,14-17H2,1-2H3,(H2,25,26,29,30)