2-[4-(2-cyclohexylsulfanylethanoylamino)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-cyclohexylsulfanylethanoylamino)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(2-cyclohexylsulfanylacetyl)amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-(cyclohexylthio)-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2-cyclohexylsulfanylacetyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(cyclohexylthio)acetyl]amino]phenyl]cinchoninic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C24H24N2O3S/c27-23(15-30-18-6-2-1-3-7-18)25-17-12-10-16(11-13-17)22-14-20(24(28)29)19-8-4-5-9-21(19)26-22/h4-5,8-14,18H,1-3,6-7,15H2,(H,25,27)(H,28,29)