2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C17H21N3O3S/c21-15(18-12-6-2-1-3-7-12)10-20-14-9-5-4-8-13(14)19-17(20)24-11-16(22)23/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,22,23)