methyl N'-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioate

Systemtic Name: methyl N'-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioate Traditional Name: 1-(4-chlorophenyl)-2-methyl-3-piazthiol-4-ylsulfonyl-isothiourea Formula: C14H11ClN4O2S3 MolecularWeight: 398.91074

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC2=NSN=C21)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CC2=NSN=C21)/NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN4O2S3/c1-22-14(16-10-7-5-9(15)6-8-10)19-24(20,21)12-4-2-3-11-13(12)18-23-17-11/h2-8H,1H3,(H,16,19)