(E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-12-7-9-14(11-15(12)21(23)24)19-18(26)20-17(22)10-8-13-5-3-4-6-16(13)25-2/h3-11H,1-2H3,(H2,19,20,22,26)/b10-8+