(E)-N-(heptylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(heptylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(heptylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(heptylamino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(heptylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(heptylthiocarbamoyl)-3-(3-nitrophenyl)acrylamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3S/c1-2-3-4-5-6-12-18-17(24)19-16(21)11-10-14-8-7-9-15(13-14)20(22)23/h7-11,13H,2-6,12H2,1H3,(H2,18,19,21,24)/b11-10+