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

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbonylamino]propylamino]-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-[3-[(4-carbamimidoylbenzoyl)amino]propylamino]-4-oxo-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 2-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propylamino]-4-oxo-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[3-[(4-carbamimidoylbenzoyl)amino]propylamino]-4-oxo-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2-[3-[(4-amidinobenzoyl)amino]propylamino]-4-keto-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C25H24N6O4S MolecularWeight: 504.56086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(N2CC3=NC=CS3)NCCCNC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(N2CC3=NC=CS3)NCCCNC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H24N6O4S/c26-22(27)15-6-8-16(9-7-15)24(33)30-11-3-10-29-23-20(25(34)35)21(32)17-4-1-2-5-18(17)31(23)14-19-28-12-13-36-19/h1-2,4-9,12-13,29H,3,10-11,14H2,(H3,26,27)(H,30,33)(H,34,35)