(3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S2/c1-14(2)6-7-19-17(18)24-13-15-4-3-5-16(12-15)25(21,22)20-8-10-23-11-9-20/h3-5,12,14H,6-11,13H2,1-2H3,(H2,18,19)