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

Systemtic Name: (E)-N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N4O3S/c1-17(28)26-13-15-27(16-14-26)21-6-4-3-5-20(21)24-23(31)25-22(29)12-9-18-7-10-19(30-2)11-8-18/h3-12H,13-16H2,1-2H3,(H2,24,25,29,31)/b12-9+