methyl 6-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)NC(=O)N2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C15H20N4O3S/c1-22-13(20)5-3-2-4-8-16-15(23)17-10-6-7-11-12(9-10)19-14(21)18-11/h6-7,9H,2-5,8H2,1H3,(H2,16,17,23)(H2,18,19,21)