3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-4H-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)-2-pyridyl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-[(ethylthio)methyl]-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-[(ethylthio)methyl]-N-[5-(2-sulfamoylphenyl)-2-pyridyl]-2-isoxazoline-5-carboxamide Formula: C25H26N6O4S2 MolecularWeight: 538.64174

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=NC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

CCSCC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=NC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C25H26N6O4S2/c1-2-36-15-25(13-20(31-35-25)16-6-5-7-17(12-16)23(26)27)24(32)30-22-11-10-18(14-29-22)19-8-3-4-9-21(19)37(28,33)34/h3-12,14H,2,13,15H2,1H3,(H3,26,27)(H2,28,33,34)(H,29,30,32)