(E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13-3-5-15(11-18(13)23)20-9-7-17(30-20)8-10-21(27)25-22(31)24-19-12-16(26(28)29)6-4-14(19)2/h3-12H,1-2H3,(H2,24,25,27,31)/b10-8+