(3-morpholin-4-ylsulfonylphenyl)methyl N'-(2-methylpropyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S2/c1-13(2)11-18-16(17)23-12-14-4-3-5-15(10-14)24(20,21)19-6-8-22-9-7-19/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,17,18)