2-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]-4-oxo-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 2-[4-[(4-carbamimidoylphenyl)-oxomethyl]-1-piperazinyl]-4-oxo-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]-4-oxo-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2-[4-(4-amidinobenzoyl)piperazino]-4-keto-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C26H24N6O4S MolecularWeight: 516.57156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3N2CC4=NC=CS4)C(=O)O)C(=O)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3N2CC4=NC=CS4)C(=O)O)C(=O)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C26H24N6O4S/c27-23(28)16-5-7-17(8-6-16)25(34)31-12-10-30(11-13-31)24-21(26(35)36)22(33)18-3-1-2-4-19(18)32(24)15-20-29-9-14-37-20/h1-9,14H,10-13,15H2,(H3,27,28)(H,35,36)