N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C22H18BrClN2O2S MolecularWeight: 489.81252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C)Br

InChI

InChI=1S/C22H18BrClN2O2S/c1-13-11-16(23)12-14(2)21(13)26-22(29)25-20(27)10-8-18-7-9-19(28-18)15-3-5-17(24)6-4-15/h3-12H,1-2H3,(H2,25,26,27,29)