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

Systemtic Name: (E)-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-p-phenetyl-acrylamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-2-34-26-16-13-23(14-17-26)15-18-27(33)30-29(35)32-21-19-31(20-22-32)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,28H,2,19-22H2,1H3,(H,30,33,35)/b18-15+