(E)-N-(heptylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(heptylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(heptylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(heptylamino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(heptylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(heptylthiocarbamoyl)-3-(4-nitrophenyl)acrylamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-2-3-4-5-6-13-18-17(24)19-16(21)12-9-14-7-10-15(11-8-14)20(22)23/h7-12H,2-6,13H2,1H3,(H2,18,19,21,24)/b12-9+