(3-morpholin-4-ylsulfonylphenyl)methyl N'-methylcarbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-methylcarbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-methylcarbamimidothioate Traditional Name: 3-methyl-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C13H19N3O3S2 MolecularWeight: 329.43826

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CN=C(N)SCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C13H19N3O3S2/c1-15-13(14)20-10-11-3-2-4-12(9-11)21(17,18)16-5-7-19-8-6-16/h2-4,9H,5-8,10H2,1H3,(H2,14,15)