3-methyl-N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C24H30N4O2S/c1-17(2)16-22(29)26-24(31)25-20-8-10-21(11-9-20)27-12-14-28(15-13-27)23(30)19-6-4-18(3)5-7-19/h4-11,17H,12-16H2,1-3H3,(H2,25,26,29,31)