4-bromanyl-N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-dimethoxy-phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-dimethoxy-phenyl]benzamide Openeye Name: 4-bromo-N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-dimethoxy-phenyl]benzamide CAS Name: 4-bromo-N-[4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2,5-dimethoxyphenyl]benzamide IUPAC Name: 4-bromo-N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-dimethoxyphenyl]benzamide Traditional Name: 4-bromo-N-[4-[(4-chlorophenyl)thiocarbamoylamino]-2,5-dimethoxy-phenyl]benzamide Formula: C22H19BrClN3O3S MolecularWeight: 520.82656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)Br)OC)NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)Br)OC)NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19BrClN3O3S/c1-29-19-12-18(27-22(31)25-16-9-7-15(24)8-10-16)20(30-2)11-17(19)26-21(28)13-3-5-14(23)6-4-13/h3-12H,1-2H3,(H,26,28)(H2,25,27,31)