6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-1-(4-phenylphenyl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-1-(4-phenylphenyl)quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(4-phenylphenyl)quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-oxo-1-(4-phenylphenyl)-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(4-phenylphenyl)quinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-1-(4-phenylphenyl)quinoline-3-carboxylic acid Formula: C33H27N5O3S MolecularWeight: 573.66418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5)N)C6=NC7=CC=CC=C7S6

Isomeric SMILES

C1CN(CCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5)N)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C33H27N5O3S/c34-26-18-24-28(19-29(26)36-14-16-37(17-15-36)33-35-27-8-4-5-9-30(27)42-33)38(20-25(31(24)39)32(40)41)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-13,18-20H,14-17,34H2,(H,40,41)