(E)-N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C24H27N3O2S/c1-18-10-12-19(13-11-18)14-15-22(28)26-24(30)25-21-9-5-4-8-20(21)23(29)27-16-6-2-3-7-17-27/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H2,25,26,28,30)/b15-14+