(E)-3-(2-chlorophenyl)-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(2-chlorophenyl)prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(2-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(2-chlorophenyl)acrylamide Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C27H26ClN3OS/c28-24-14-8-7-9-21(24)15-16-25(32)29-27(33)31-19-17-30(18-20-31)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-16,26H,17-20H2,(H,29,32,33)/b16-15+