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

Systemtic Name: 3-[(4-carbamimidoylphenyl)carbonylamino]-4-oxidanylidene-2-propyl-1-(1,3-thiazol-2-ylmethyl)-2H-quinoline-3-carboxylic acid Openeye Name: 3-[(4-carbamimidoylbenzoyl)amino]-4-oxo-2-propyl-1-(thiazol-2-ylmethyl)-2H-quinoline-3-carboxylic acid CAS Name: 3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-oxo-2-propyl-1-(2-thiazolylmethyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 3-[(4-carbamimidoylbenzoyl)amino]-4-oxo-2-propyl-1-(1,3-thiazol-2-ylmethyl)-2H-quinoline-3-carboxylic acid Traditional Name: 3-[(4-amidinobenzoyl)amino]-4-keto-2-propyl-1-(thiazol-2-ylmethyl)-2H-quinoline-3-carboxylic acid Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)C2=CC=CC=C2N1CC3=NC=CS3)(C(=O)O)NC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCCC1C(C(=O)C2=CC=CC=C2N1CC3=NC=CS3)(C(=O)O)NC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H25N5O4S/c1-2-5-19-25(24(33)34,29-23(32)16-10-8-15(9-11-16)22(26)27)21(31)17-6-3-4-7-18(17)30(19)14-20-28-12-13-35-20/h3-4,6-13,19H,2,5,14H2,1H3,(H3,26,27)(H,29,32)(H,33,34)