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

Systemtic Name: 5-[(4-carbamimidoylphenyl)carbonylamino]-4-oxidanylidene-2-propyl-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 5-[(4-carbamimidoylbenzoyl)amino]-4-oxo-2-propyl-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-oxo-2-propyl-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 5-[(4-carbamimidoylbenzoyl)amino]-4-oxo-2-propyl-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 5-[(4-amidinobenzoyl)amino]-4-keto-2-propyl-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C2=C(N1CC3=NC=CS3)C=CC=C2NC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)C2=C(N1CC3=NC=CS3)C=CC=C2NC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H23N5O4S/c1-2-4-17-21(25(33)34)22(31)20-16(29-24(32)15-9-7-14(8-10-15)23(26)27)5-3-6-18(20)30(17)13-19-28-11-12-35-19/h3,5-12H,2,4,13H2,1H3,(H3,26,27)(H,29,32)(H,33,34)