(E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-25-14-8-9-16(26-2)15(11-14)19-18(27)20-17(22)10-5-12-3-6-13(7-4-12)21(23)24/h3-11H,1-2H3,(H2,19,20,22,27)/b10-5+