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

Systemtic Name: (E)-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C33H31FN4O3S2 MolecularWeight: 614.752643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C=CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)/C=C/C5=CC=C(C=C5)F

InChI

InChI=1S/C33H31FN4O3S2/c34-28-14-11-25(12-15-28)13-20-31(39)36-33(42)35-29-16-18-30(19-17-29)43(40,41)38-23-21-37(22-24-38)32(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-20,32H,21-24H2,(H2,35,36,39,42)/b20-13+