phenethyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O5S2/c30-24(15-16-25(31)34-18-17-20-7-3-1-4-8-20)29-26(35)28-22-11-13-23(14-12-22)36(32,33)27-19-21-9-5-2-6-10-21/h1-14,27H,15-19H2,(H2,28,29,30,35)