(Z)-2-acetamido-N-(azepan-1-ylcarbothioyl)-3-phenyl-prop-2-enamide

Systemtic Name: (Z)-2-acetamido-N-(azepan-1-ylcarbothioyl)-3-phenyl-prop-2-enamide Openeye Name: (Z)-2-acetamido-N-(azepane-1-carbothioyl)-3-phenyl-prop-2-enamide CAS Name: (Z)-2-acetamido-N-[1-azepanyl(sulfanylidene)methyl]-3-phenyl-2-propenamide IUPAC Name: (Z)-2-acetamido-N-(azepane-1-carbothioyl)-3-phenylprop-2-enamide Traditional Name: (Z)-2-acetamido-N-(azepane-1-carbothioyl)-3-phenyl-acrylamide Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C18H23N3O2S/c1-14(22)19-16(13-15-9-5-4-6-10-15)17(23)20-18(24)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,22)(H,20,23,24)/b16-13-