phenethyl 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C22H22N4O5S3 MolecularWeight: 518.62888

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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)NC3=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C22H22N4O5S3/c27-19(10-11-20(28)31-14-12-16-4-2-1-3-5-16)25-21(32)24-17-6-8-18(9-7-17)34(29,30)26-22-23-13-15-33-22/h1-9,13,15H,10-12,14H2,(H,23,26)(H2,24,25,27,32)