(E)-N-(azepan-1-ylcarbothioyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(azepan-1-ylcarbothioyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(azepane-1-carbothioyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[1-azepanyl(sulfanylidene)methyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(azepane-1-carbothioyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(azepane-1-carbothioyl)-3-(3-nitrophenyl)acrylamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c20-15(17-16(23)18-10-3-1-2-4-11-18)9-8-13-6-5-7-14(12-13)19(21)22/h5-9,12H,1-4,10-11H2,(H,17,20,23)/b9-8+