3-bromanyl-4-butoxy-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-4-5-14-34-24-13-11-19(16-22(24)28)25(32)31-27(35)30-23-9-7-6-8-21(23)26(33)29-20-12-10-17(2)18(3)15-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,29,33)(H2,30,31,32,35)