(E)-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=C(C=C2)F)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O3S/c1-11-9-12(2)17(15(10-11)22(24)25)21-18(26)20-16(23)8-5-13-3-6-14(19)7-4-13/h3-10H,1-2H3,(H2,20,21,23,26)/b8-5+