(E)-3-(5-methylfuran-2-yl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-methyl-2-furyl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-methyl-2-furanyl)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-methylfuran-2-yl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-methyl-2-furyl)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=C(O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=C(O2)C

InChI

InChI=1S/C16H15N3O4S/c1-10-3-5-12(19(21)22)9-14(10)17-16(24)18-15(20)8-7-13-6-4-11(2)23-13/h3-9H,1-2H3,(H2,17,18,20,24)/b8-7+