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

Systemtic Name: (E)-N-(2-diethylaminoethylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-diethylaminoethylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-diethylaminoethylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-diethylaminoethylthiocarbamoyl)-3-(3-nitrophenyl)acrylamide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-3-19(4-2)11-10-17-16(24)18-15(21)9-8-13-6-5-7-14(12-13)20(22)23/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,21,24)/b9-8+