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

Systemtic Name: methyl N-(4-morpholin-4-ylphenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-(4-morpholinophenyl)-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[4-(4-morpholinyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-morpholin-4-ylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-1-(4-morpholinophenyl)-3-(2-thienylsulfonyl)isothiourea Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S3/c1-23-16(18-25(20,21)15-3-2-12-24-15)17-13-4-6-14(7-5-13)19-8-10-22-11-9-19/h2-7,12H,8-11H2,1H3,(H,17,18)