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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-(4-methylpiperazino)nicotinamide Formula: C24H30F3N5O2S MolecularWeight: 509.58751

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H30F3N5O2S/c1-3-4-5-15-34-20-9-8-17(16-19(20)24(25,26)27)29-23(35)30-22(33)18-7-6-10-28-21(18)32-13-11-31(2)12-14-32/h6-10,16H,3-5,11-15H2,1-2H3,(H2,29,30,33,35)