[2-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinolin-3-yl] hydrogen carbonate

Systemtic Name: [2-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-4-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)quinolin-3-yl] hydrogen carbonate Openeye Name: [2-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-4-oxo-1-(thiazol-2-ylmethyl)-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [2-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-4-oxo-1-(2-thiazolylmethyl)-3-quinolinyl] ester IUPAC Name: [2-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-4-oxo-1-(1,3-thiazol-2-ylmethyl)quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[3-[(4-amidinobenzoyl)amino]propyl]-4-keto-1-(thiazol-2-ylmethyl)-3-quinolyl] ester Formula: C25H23N5O5S MolecularWeight: 505.54562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(N2CC3=NC=CS3)CCCNC(=O)C4=CC=C(C=C4)C(=N)N)OC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(N2CC3=NC=CS3)CCCNC(=O)C4=CC=C(C=C4)C(=N)N)OC(=O)O

InChI

InChI=1S/C25H23N5O5S/c26-23(27)15-7-9-16(10-8-15)24(32)29-11-3-6-19-22(35-25(33)34)21(31)17-4-1-2-5-18(17)30(19)14-20-28-12-13-36-20/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H3,26,27)(H,29,32)(H,33,34)