methyl N-(3-pyrrolidin-1-ylsulfonylphenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(3-pyrrolidin-1-ylsulfonylphenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-pyrrolidin-1-ylsulfonylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-1-(3-pyrrolidinosulfonylphenyl)-3-(2-thienylsulfonyl)isothiourea Formula: C16H19N3O4S4 MolecularWeight: 445.59976

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H19N3O4S4/c1-24-16(18-26(20,21)15-8-5-11-25-15)17-13-6-4-7-14(12-13)27(22,23)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3,(H,17,18)