N-[(3-methyl-4-pentoxy-phenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(3-methyl-4-pentoxy-phenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(3-methyl-4-pentoxy-phenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(3-methyl-4-pentoxyanilino)-sulfanylidenemethyl]-2-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(3-methyl-4-pentoxyphenyl)carbamothioyl]-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(4-amoxy-3-methyl-phenyl)thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2S/c1-4-5-6-16-31-21-10-9-19(17-18(21)2)26-24(32)27-23(30)20-8-7-11-25-22(20)29-14-12-28(3)13-15-29/h7-11,17H,4-6,12-16H2,1-3H3,(H2,26,27,30,32)