methyl N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-(2-chloro-5-piperidinosulfonyl-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C17H20ClN3O4S4 MolecularWeight: 494.0714

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C17H20ClN3O4S4/c1-26-17(20-28(22,23)16-6-5-11-27-16)19-15-12-13(7-8-14(15)18)29(24,25)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)