N-[4-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C21H18ClN3O4S2 MolecularWeight: 475.96832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4S2/c1-29-19-12-7-15(22)13-18(19)24-21(30)23-16-8-10-17(11-9-16)31(27,28)25-20(26)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26)(H2,23,24,30)