(5-ethanoyl-2-methoxy-phenyl)methyl N-[2,3-bis(chloranyl)phenyl]-N'-(phenylsulfonyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N-[2,3-bis(chloranyl)phenyl]-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-(benzenesulfonyl)-1-(2,3-dichlorophenyl)isothiourea CAS Name: N'-(benzenesulfonyl)-N-(2,3-dichlorophenyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-(benzenesulfonyl)-N-(2,3-dichlorophenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-besyl-1-(2,3-dichlorophenyl)isothiourea Formula: C23H20Cl2N2O4S2 MolecularWeight: 523.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NS(=O)(=O)C2=CC=CC=C2)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C23H20Cl2N2O4S2/c1-15(28)16-11-12-21(31-2)17(13-16)14-32-23(26-20-10-6-9-19(24)22(20)25)27-33(29,30)18-7-4-3-5-8-18/h3-13H,14H2,1-2H3,(H,26,27)