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

Systemtic Name: 5-bromanyl-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-2-furamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br)C

InChI

InChI=1S/C21H18BrN3O3S/c1-12-7-8-14(11-13(12)2)23-19(26)15-5-3-4-6-16(15)24-21(29)25-20(27)17-9-10-18(22)28-17/h3-11H,1-2H3,(H,23,26)(H2,24,25,27,29)