(E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2-enamide CAS Name: (E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide Traditional Name: (E)-N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]acrylamide Formula: C32H28Cl2N4O3S MolecularWeight: 619.56072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)Cl

InChI

InChI=1S/C32H28Cl2N4O3S/c1-21-6-7-23(20-26(21)34)29-14-12-25(41-29)13-15-30(39)36-32(42)35-27-4-2-3-5-28(27)37-16-18-38(19-17-37)31(40)22-8-10-24(33)11-9-22/h2-15,20H,16-19H2,1H3,(H2,35,36,39,42)/b15-13+