(E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c22-17(10-9-15-7-4-8-16(13-15)21(23)24)20-18(25)19-12-11-14-5-2-1-3-6-14/h4-5,7-10,13H,1-3,6,11-12H2,(H2,19,20,22,25)/b10-9+