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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

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