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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C23H31N5O2S/c1-3-4-5-17-30-19-10-8-18(9-11-19)25-23(31)26-22(29)20-7-6-12-24-21(20)28-15-13-27(2)14-16-28/h6-12H,3-5,13-17H2,1-2H3,(H2,25,26,29,31)