(3-morpholin-4-ylsulfonylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 3-[(1S)-1-methylpropyl]-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S2/c1-3-13(2)18-16(17)23-12-14-5-4-6-15(11-14)24(20,21)19-7-9-22-10-8-19/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,17,18)/t13-/m0/s1