(E)-3-(4-ethoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C24H28N4O3S/c1-3-31-19-11-8-18(9-12-19)10-13-22(29)26-24(32)25-21-7-5-4-6-20(21)23(30)28-16-14-27(2)15-17-28/h4-13H,3,14-17H2,1-2H3,(H2,25,26,29,32)/b13-10+