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

Systemtic Name: 5-[(4-carbamimidoylphenyl)carbonylamino]-4-oxidanylidene-2-(propylamino)-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 5-[(4-carbamimidoylbenzoyl)amino]-4-oxo-2-(propylamino)-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-oxo-2-(propylamino)-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 5-[(4-carbamimidoylbenzoyl)amino]-4-oxo-2-(propylamino)-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 5-[(4-amidinobenzoyl)amino]-4-keto-2-(propylamino)-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C25H24N6O4S MolecularWeight: 504.56086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=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

CCCNC1=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/C25H24N6O4S/c1-2-10-29-23-20(25(34)35)21(32)19-16(30-24(33)15-8-6-14(7-9-15)22(26)27)4-3-5-17(19)31(23)13-18-28-11-12-36-18/h3-9,11-12,29H,2,10,13H2,1H3,(H3,26,27)(H,30,33)(H,34,35)