methyl N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-(4-chloro-3-morpholinosulfonyl-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-(4-chloro-3-morpholinosulfonyl-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C16H18ClN3O5S4 MolecularWeight: 496.04422

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H18ClN3O5S4/c1-26-16(19-28(21,22)15-3-2-10-27-15)18-12-4-5-13(17)14(11-12)29(23,24)20-6-8-25-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,18,19)