5-bromanyl-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O3S/c1-15-7-9-20(27)19(13-15)25-23(30)26-22(28)18-14-17(24)8-10-21(18)29-12-11-16-5-3-2-4-6-16/h2-10,13-14,27H,11-12H2,1H3,(H2,25,26,28,30)