2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-10-7-14-15(8-11(10)2)21-18(20-14)25-9-16(22)19-13-6-4-3-5-12(13)17(23)24/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/p-1