(3-morpholin-4-ylsulfonylphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(3-morpholinosulfonylphenyl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-(3-morpholinosulfonylbenzyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1C[C@@H](OC1)CN=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H25N3O4S2/c18-17(19-12-15-4-2-8-24-15)25-13-14-3-1-5-16(11-14)26(21,22)20-6-9-23-10-7-20/h1,3,5,11,15H,2,4,6-10,12-13H2,(H2,18,19)/t15-/m1/s1