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

Systemtic Name: (E)-N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C25H29N3O3S/c1-2-31-20-14-11-19(12-15-20)13-16-23(29)27-25(32)26-22-10-6-5-9-21(22)24(30)28-17-7-3-4-8-18-28/h5-6,9-16H,2-4,7-8,17-18H2,1H3,(H2,26,27,29,32)/b16-13+