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

Systemtic Name: 3-bromanyl-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C)Br

Isomeric SMILES

CCOC1=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/C25H24BrN3O3S/c1-4-32-22-12-10-17(14-20(22)26)23(30)29-25(33)28-21-8-6-5-7-19(21)24(31)27-18-11-9-15(2)16(3)13-18/h5-14H,4H2,1-3H3,(H,27,31)(H2,28,29,30,33)