(E)-N-[cyclohexyl(methyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[cyclohexyl(methyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[cyclohexyl(methyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[cyclohexyl(methyl)amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[cyclohexyl(methyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[cyclohexyl(methyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-19(14-7-3-2-4-8-14)17(24)18-16(21)11-10-13-6-5-9-15(12-13)20(22)23/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,18,21,24)/b11-10+