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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 3-cyclopentyl-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 3-cyclopentyl-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(C1)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H25N3O3S2/c18-17(19-15-5-1-2-6-15)24-13-14-4-3-7-16(12-14)25(21,22)20-8-10-23-11-9-20/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H2,18,19)