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

Systemtic Name: 3-(4-methoxyphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-methoxyphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-methoxyphenyl)-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-methoxyphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H26N4O4S2/c1-30-18-10-7-17(8-11-18)9-12-21(27)24-22(31)23-19-5-3-4-6-20(19)25-13-15-26(16-14-25)32(2,28)29/h3-12H,13-16H2,1-2H3,(H2,23,24,27,31)