methyl N-(4-chlorophenyl)-N'-[5-(phenylsulfonyl)thiophen-2-yl]sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-chlorophenyl)-N'-[5-(phenylsulfonyl)thiophen-2-yl]sulfonyl-carbamimidothioate Openeye Name: 3-[[5-(benzenesulfonyl)-2-thienyl]sulfonyl]-1-(4-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-[[5-(benzenesulfonyl)-2-thiophenyl]sulfonyl]-N-(4-chlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-N-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-[(5-besyl-2-thienyl)sulfonyl]-1-(4-chlorophenyl)-2-methyl-isothiourea Formula: C18H15ClN2O4S4 MolecularWeight: 487.0357

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=C(S1)S(=O)(=O)C2=CC=CC=C2)/NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O4S4/c1-26-18(20-14-9-7-13(19)8-10-14)21-29(24,25)17-12-11-16(27-17)28(22,23)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21)