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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: 3-(4-isopropylphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C24H30N4O3S2/c1-18(2)20-11-8-19(9-12-20)10-13-23(29)26-24(32)25-21-6-4-5-7-22(21)27-14-16-28(17-15-27)33(3,30)31/h4-13,18H,14-17H2,1-3H3,(H2,25,26,29,32)