(E)-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)21-18(28)20-13-6-5-12(19)10-14(13)22(24)25/h3-10H,1-2H3,(H2,20,21,23,28)/b8-4+