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

Systemtic Name: (E)-N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide Openeye Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(1-naphthyl)prop-2-enamide CAS Name: (E)-N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(1-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide Traditional Name: (E)-N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-(1-naphthyl)acrylamide Formula: C27H27N3O2S MolecularWeight: 457.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O2S/c31-25(17-14-21-10-7-9-20-8-3-4-11-24(20)21)29-27(33)28-23-15-12-22(13-16-23)26(32)30-18-5-1-2-6-19-30/h3-4,7-17H,1-2,5-6,18-19H2,(H2,28,29,31,33)/b17-14+