2-[(4-carbamimidoylphenyl)carbonylamino]-5-(ethylamino)-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]-5-(ethylamino)-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-(ethylamino)-4-oxo-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-(ethylamino)-4-oxo-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-(ethylamino)-4-oxo-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2-[(4-amidinobenzoyl)amino]-5-(ethylamino)-4-keto-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C24H22N6O4S MolecularWeight: 490.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC2=C1C(=O)C(=C(N2CC3=NC=CS3)NC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CCNC1=CC=CC2=C1C(=O)C(=C(N2CC3=NC=CS3)NC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H22N6O4S/c1-2-27-15-4-3-5-16-18(15)20(31)19(24(33)34)22(30(16)12-17-28-10-11-35-17)29-23(32)14-8-6-13(7-9-14)21(25)26/h3-11,27H,2,12H2,1H3,(H3,25,26)(H,29,32)(H,33,34)