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

Systemtic Name: 3-(4-chlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S2/c1-31(28,29)26-14-12-25(13-15-26)19-5-3-2-4-18(19)23-21(30)24-20(27)11-8-16-6-9-17(22)10-7-16/h2-11H,12-15H2,1H3,(H2,23,24,27,30)