(E)-3-(4-nitrophenyl)-N-(1-oxidanylbutan-2-ylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-(1-oxidanylbutan-2-ylcarbamothioyl)prop-2-enamide Openeye Name: (E)-N-[1-(hydroxymethyl)propylcarbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(1-hydroxybutan-2-ylamino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(1-hydroxybutan-2-ylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(1-methylolpropylthiocarbamoyl)-3-(4-nitrophenyl)acrylamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-2-11(9-18)15-14(22)16-13(19)8-5-10-3-6-12(7-4-10)17(20)21/h3-8,11,18H,2,9H2,1H3,(H2,15,16,19,22)/b8-5+