(3-morpholin-4-ylsulfonylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H25N3O4S2/c1-13(11-22-2)18-16(17)24-12-14-4-3-5-15(10-14)25(20,21)19-6-8-23-9-7-19/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,17,18)/t13-/m1/s1