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

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C21H15Cl2N3O4S MolecularWeight: 476.3325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15Cl2N3O4S/c1-12-10-18(26(28)29)16(23)11-17(12)24-21(31)25-20(27)9-7-15-6-8-19(30-15)13-2-4-14(22)5-3-13/h2-11H,1H3,(H2,24,25,27,31)