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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S2/c31-25(17-18-26(32)35-19-7-12-21-8-3-1-4-9-21)30-27(36)29-23-13-15-24(16-14-23)37(33,34)28-20-22-10-5-2-6-11-22/h1-6,8-11,13-16,28H,7,12,17-20H2,(H2,29,30,31,36)