4-(diphenylmethyl)-N-[(1S)-3-oxidanylidene-1-phenyl-butyl]piperazine-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-[(1S)-3-oxidanylidene-1-phenyl-butyl]piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-[(1S)-3-oxo-1-phenyl-butyl]piperazine-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-[(1S)-3-oxo-1-phenylbutyl]-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-[(1S)-3-oxo-1-phenylbutyl]piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-[(1S)-3-keto-1-phenyl-butyl]piperazine-1-carbothioamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C[C@@H](C1=CC=CC=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3OS/c1-22(32)21-26(23-11-5-2-6-12-23)29-28(33)31-19-17-30(18-20-31)27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26-27H,17-21H2,1H3,(H,29,33)/t26-/m0/s1