N-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: N-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-(4-acetyl-1,4-diazepane-1-carbothioyl)-3-phenyl-prop-2-enamide CAS Name: N-[(4-acetyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-(4-acetyl-1,4-diazepane-1-carbothioyl)-3-phenylprop-2-enamide Traditional Name: N-(4-acetyl-1,4-diazepane-1-carbothioyl)-3-phenyl-acrylamide Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-14(21)19-10-5-11-20(13-12-19)17(23)18-16(22)9-8-15-6-3-2-4-7-15/h2-4,6-9H,5,10-13H2,1H3,(H,18,22,23)