3-bromanyl-4-(2-methylpropoxy)-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(3-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrN2O3S/c1-18(2)17-32-24-12-11-20(15-23(24)27)25(30)29-26(33)28-21-9-6-10-22(16-21)31-14-13-19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H2,28,29,30,33)