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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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