2-[4-[2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetyl]amino]phenyl]cinchoninic acid Formula: C25H18N4O3S2 MolecularWeight: 486.56542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=C(S4)C=C(C=C5)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=C(S4)C=C(C=C5)N)C(=O)O

InChI

InChI=1S/C25H18N4O3S2/c26-15-7-10-20-22(11-15)34-25(29-20)33-13-23(30)27-16-8-5-14(6-9-16)21-12-18(24(31)32)17-3-1-2-4-19(17)28-21/h1-12H,13,26H2,(H,27,30)(H,31,32)