N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C)Br)C)C

InChI

InChI=1S/C22H21BrN2O2S/c1-12-5-6-16(9-13(12)2)18-7-8-19(27-18)21(26)25-22(28)24-20-14(3)10-17(23)11-15(20)4/h5-11H,1-4H3,(H2,24,25,26,28)