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

Systemtic Name: N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(4-bromo-3-methyl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(4-bromo-3-methylphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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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=CC(=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Br)C)C

InChI

InChI=1S/C21H19BrN2O2S/c1-12-4-5-15(10-13(12)2)18-8-9-19(26-18)20(25)24-21(27)23-16-6-7-17(22)14(3)11-16/h4-11H,1-3H3,(H2,23,24,25,27)