[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C20H27N3O3S2/c24-18(14-26-19(25)15-28-20(27)23-12-4-5-13-23)21-16-6-8-17(9-7-16)22-10-2-1-3-11-22/h6-9H,1-5,10-15H2,(H,21,24)