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

Systemtic Name: (E)-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(3-nitrophenyl)acrylamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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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=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3S/c32-25(15-14-21-8-7-13-24(20-21)31(33)34)28-27(35)30-18-16-29(17-19-30)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,20,26H,16-19H2,(H,28,32,35)/b15-14+