methyl N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-(2-methyl-5-morpholinosulfonyl-phenyl)-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-1-(2-methyl-5-morpholinosulfonyl-phenyl)-3-(2-thienylsulfonyl)isothiourea Formula: C17H21N3O5S4 MolecularWeight: 475.62574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=NS(=O)(=O)C3=CC=CS3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N/C(=N/S(=O)(=O)C3=CC=CS3)/SC

InChI

InChI=1S/C17H21N3O5S4/c1-13-5-6-14(29(23,24)20-7-9-25-10-8-20)12-15(13)18-17(26-2)19-28(21,22)16-4-3-11-27-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)