3-methyl-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-17(2)16-21(28)25-23(30)24-19-8-10-20(11-9-19)26-12-14-27(15-13-26)22(29)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H2,24,25,28,30)