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

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]-5-ethyl-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-ethyl-4-oxo-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-ethyl-4-oxo-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-ethyl-4-oxo-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2-[(4-amidinobenzoyl)amino]-5-ethyl-4-keto-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C(=C(C2=O)C(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N)CC4=NC=CS4

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C(=C(C2=O)C(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N)CC4=NC=CS4

InChI

InChI=1S/C24H21N5O4S/c1-2-13-4-3-5-16-18(13)20(30)19(24(32)33)22(29(16)12-17-27-10-11-34-17)28-23(31)15-8-6-14(7-9-15)21(25)26/h3-11H,2,12H2,1H3,(H3,25,26)(H,28,31)(H,32,33)