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

Systemtic Name: (E)-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-methoxyphenyl)acrylamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-33-25-15-12-22(13-16-25)14-17-26(32)29-28(34)31-20-18-30(19-21-31)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17,27H,18-21H2,1H3,(H,29,32,34)/b17-14+