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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-[(ethylthio)methyl]-N-[5-(2-sulfamoylphenyl)-2-pyrimidinyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfanylmethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-[(ethylthio)methyl]-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-2-isoxazoline-5-carboxamide Formula: C24H25N7O4S2 MolecularWeight: 539.6298

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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=N3)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=N3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C24H25N7O4S2/c1-2-36-14-24(11-19(31-35-24)15-6-5-7-16(10-15)21(25)26)22(32)30-23-28-12-17(13-29-23)18-8-3-4-9-20(18)37(27,33)34/h3-10,12-13H,2,11,14H2,1H3,(H3,25,26)(H2,27,33,34)(H,28,29,30,32)