(E)-3-(3,4-dimethoxyphenyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-nitrophenyl)thiocarbamoyl]acrylamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O5S/c1-25-15-8-6-12(10-16(15)26-2)7-9-17(22)20-18(27)19-13-4-3-5-14(11-13)21(23)24/h3-11H,1-2H3,(H2,19,20,22,27)/b9-7+