propyl 4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate

Systemtic Name: propyl 4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate Openeye Name: propyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]benzoic acid propyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H22N2O3S2/c1-2-11-22-16(21)13-5-7-14(8-6-13)18-15(20)12-24-17(23)19-9-3-4-10-19/h5-8H,2-4,9-12H2,1H3,(H,18,20)