5-bromanyl-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-chloro-4-methyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-chloro-4-methylphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H20BrClN2O2S MolecularWeight: 503.8391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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