8-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoylamino]naphthalene-1-carboxylic acid

Systemtic Name: 8-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoylamino]naphthalene-1-carboxylic acid Openeye Name: 8-[[2-[1-(p-tolyl)benzimidazol-2-yl]sulfanylacetyl]amino]naphthalene-1-carboxylic acid CAS Name: 8-[[2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]naphthalene-1-carboxylic acid Traditional Name: 8-[[2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetyl]amino]-1-naphthoic acid Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C27H21N3O3S/c1-17-12-14-19(15-13-17)30-23-11-3-2-9-21(23)29-27(30)34-16-24(31)28-22-10-5-7-18-6-4-8-20(25(18)22)26(32)33/h2-15H,16H2,1H3,(H,28,31)(H,32,33)