3-(2,4-dichlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C21H22Cl2N4O3S2 MolecularWeight: 513.46038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O3S2/c1-32(29,30)27-12-10-26(11-13-27)19-5-3-2-4-18(19)24-21(31)25-20(28)9-7-15-6-8-16(22)14-17(15)23/h2-9,14H,10-13H2,1H3,(H2,24,25,28,31)