methyl N'-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]sulfonyl-N-(4-chlorophenyl)carbamimidothioate

Systemtic Name: methyl N'-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]sulfonyl-N-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-[4-(2-chloro-6-nitro-phenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-[4-(2-chloro-6-nitrophenoxy)phenyl]sulfonyl-N-(4-chlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-(2-chloro-6-nitrophenoxy)phenyl]sulfonyl-N-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-[4-(2-chloro-6-nitro-phenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-2-methyl-isothiourea Formula: C20H15Cl2N3O5S2 MolecularWeight: 512.3862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-])/NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H15Cl2N3O5S2/c1-31-20(23-14-7-5-13(21)6-8-14)24-32(28,29)16-11-9-15(10-12-16)30-19-17(22)3-2-4-18(19)25(26)27/h2-12H,1H3,(H,23,24)