(3-morpholin-4-ylsulfonylphenyl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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