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

Systemtic Name: propyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H25N3O5S2/c1-2-13-26-17(23)10-9-16(22)20-18(27)19-14-5-7-15(8-6-14)28(24,25)21-11-3-4-12-21/h5-8H,2-4,9-13H2,1H3,(H2,19,20,22,27)