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

Systemtic Name: 5-bromanyl-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C29H32BrN3O3S/c1-4-5-6-9-16-36-26-15-13-21(30)18-24(26)28(35)33-29(37)32-25-11-8-7-10-23(25)27(34)31-22-14-12-19(2)20(3)17-22/h7-8,10-15,17-18H,4-6,9,16H2,1-3H3,(H,31,34)(H2,32,33,35,37)