phenethyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

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