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

Systemtic Name: N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[(4-bromo-3-methyl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[(4-bromo-3-methylphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C21H16BrClN2O2S MolecularWeight: 475.78594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C21H16BrClN2O2S/c1-13-12-16(6-9-18(13)22)24-21(28)25-20(26)11-8-17-7-10-19(27-17)14-2-4-15(23)5-3-14/h2-12H,1H3,(H2,24,25,26,28)