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

Systemtic Name: (E)-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(4-fluorophenyl)acrylamide Formula: C27H26FN3OS MolecularWeight: 459.578243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C=CC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3OS/c28-24-14-11-21(12-15-24)13-16-25(32)29-27(33)31-19-17-30(18-20-31)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,26H,17-20H2,(H,29,32,33)/b16-13+