phenethyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5S2/c27-21(12-13-22(28)31-17-14-18-6-2-1-3-7-18)25-23(32)24-19-8-10-20(11-9-19)33(29,30)26-15-4-5-16-26/h1-3,6-11H,4-5,12-17H2,(H2,24,25,27,32)