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

Systemtic Name: (E)-N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c27-21(15-14-18-10-4-3-5-11-18)25-23(29)24-20-13-7-6-12-19(20)22(28)26-16-8-1-2-9-17-26/h3-7,10-15H,1-2,8-9,16-17H2,(H2,24,25,27,29)/b15-14+