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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-ethylcarbamimidothioate Openeye Name: 3-ethyl-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-ethylcarbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-ethylcarbamimidothioate Traditional Name: 3-ethyl-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C14H21N3O3S2 MolecularWeight: 343.46484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S2/c1-2-16-14(15)21-11-12-4-3-5-13(10-12)22(18,19)17-6-8-20-9-7-17/h3-5,10H,2,6-9,11H2,1H3,(H2,15,16)