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

Systemtic Name: (E)-N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H27N3O3S/c1-30-21-9-5-4-8-18(21)12-15-22(28)26-24(31)25-20-13-10-19(11-14-20)23(29)27-16-6-2-3-7-17-27/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H2,25,26,28,31)/b15-12+