3-phenylpropyl 5-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H28N4O6S2 MolecularWeight: 544.64302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O6S2/c1-18-17-22(28-35-18)29-37(32,33)21-14-12-20(13-15-21)26-25(36)27-23(30)10-5-11-24(31)34-16-6-9-19-7-3-2-4-8-19/h2-4,7-8,12-15,17H,5-6,9-11,16H2,1H3,(H,28,29)(H2,26,27,30,36)