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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5S2/c28-22(14-15-23(29)32-18-6-9-19-7-2-1-3-8-19)26-24(33)25-20-10-12-21(13-11-20)34(30,31)27-16-4-5-17-27/h1-3,7-8,10-13H,4-6,9,14-18H2,(H2,25,26,28,33)