(E)-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide

Systemtic Name: (E)-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide Openeye Name: (E)-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3-(1-naphthyl)prop-2-enamide CAS Name: (E)-N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-(1-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide Traditional Name: (E)-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-3-(1-naphthyl)acrylamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27N3O2S/c1-19-14-16-30(17-15-19)26(32)22-9-5-10-23(18-22)28-27(33)29-25(31)13-12-21-8-4-7-20-6-2-3-11-24(20)21/h2-13,18-19H,14-17H2,1H3,(H2,28,29,31,33)/b13-12+