5-bromanyl-N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C22H18BrClN2O3S MolecularWeight: 505.81192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H18BrClN2O3S/c1-13-11-14(23)12-19(20(13)28-2)21(27)26-22(30)25-16-5-9-18(10-6-16)29-17-7-3-15(24)4-8-17/h3-12H,1-2H3,(H2,25,26,27,30)