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

Systemtic Name: butyl 4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]benzoic acid butyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S2/c1-2-3-12-23-17(22)14-6-8-15(9-7-14)19-16(21)13-25-18(24)20-10-4-5-11-20/h6-9H,2-5,10-13H2,1H3,(H,19,21)