(E)-N-(azepan-1-ylcarbothioyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(azepan-1-ylcarbothioyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(azepane-1-carbothioyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[1-azepanyl(sulfanylidene)methyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(azepane-1-carbothioyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(azepane-1-carbothioyl)-3-(3,4-dimethoxyphenyl)acrylamide Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCCCCC2)OC

InChI

InChI=1S/C18H24N2O3S/c1-22-15-9-7-14(13-16(15)23-2)8-10-17(21)19-18(24)20-11-5-3-4-6-12-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21,24)/b10-8+