5-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-chloro-2-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H20BrClN2O2S MolecularWeight: 503.8391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H20BrClN2O2S/c1-15-19(25)8-5-9-20(15)26-23(30)27-22(28)18-14-17(24)10-11-21(18)29-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H2,26,27,28,30)