N-[5-chloranyl-4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-oxidanyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-chloranyl-4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-oxidanyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-hydroxy-phenyl]thiophene-2-carboxamide CAS Name: N-[5-chloro-4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-hydroxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-hydroxyphenyl]thiophene-2-carboxamide Traditional Name: N-[5-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-hydroxy-phenyl]thiophene-2-carboxamide Formula: C20H17Cl2N3O4S2 MolecularWeight: 498.40268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CS3)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC=CS3)O)Cl)OC

InChI

InChI=1S/C20H17Cl2N3O4S2/c1-28-16-9-17(29-2)14(7-11(16)22)25-20(30)24-12-8-15(26)13(6-10(12)21)23-19(27)18-4-3-5-31-18/h3-9,26H,1-2H3,(H,23,27)(H2,24,25,30)