methyl N'-(1-benzothiophen-2-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioate

Systemtic Name: methyl N'-(1-benzothiophen-2-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-(1-benzothiophen-2-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-benzothiophen-2-ylsulfonyl)-N-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-2-methyl-isothiourea Formula: C16H13ClN2O2S3 MolecularWeight: 396.93462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC2=CC=CC=C2S1)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC2=CC=CC=C2S1)/NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O2S3/c1-22-16(18-13-8-6-12(17)7-9-13)19-24(20,21)15-10-11-4-2-3-5-14(11)23-15/h2-10H,1H3,(H,18,19)