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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13-6-7-15(12-17(13)23)20-10-8-16(30-20)9-11-21(27)25-22(31)24-18-4-3-5-19(14(18)2)26(28)29/h3-12H,1-2H3,(H2,24,25,27,31)/b11-9+