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

Systemtic Name: 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazino]-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=NC6=CC=CC=C6S5)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=NC6=CC=CC=C6S5)N)C(=O)O

InChI

InChI=1S/C24H23N5O3S/c25-17-11-15-19(29(14-5-6-14)13-16(22(15)30)23(31)32)12-20(17)27-7-9-28(10-8-27)24-26-18-3-1-2-4-21(18)33-24/h1-4,11-14H,5-10,25H2,(H,31,32)