methyl 6-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]hexanoate CAS Name: 6-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]hexanoate Traditional Name: 6-[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]hexanoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H25N3O3S/c1-28-20(26)9-3-2-6-14-23-21(27)17-12-10-16(11-13-17)15-29-22-24-18-7-4-5-8-19(18)25-22/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,27)(H,24,25)