N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C21H22N4O5S2/c1-3-12-29-17-8-4-15(5-9-17)20(26)23-21(31)22-16-6-10-18(11-7-16)32(27,28)25-19-13-14(2)30-24-19/h4-11,13H,3,12H2,1-2H3,(H,24,25)(H2,22,23,26,31)