O-[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-oxidanylidene-piperidin-4-yl] methylsulfanylmethanethioate

Systemtic Name: O-[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-oxidanylidene-piperidin-4-yl] methylsulfanylmethanethioate Openeye Name: O-[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-oxo-4-piperidyl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-oxo-4-piperidinyl] ester IUPAC Name: O-[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-keto-4-piperidyl] ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCN(C1=O)CCC2=CNC3=CC=CC=C32)OC(=S)SC)CC

Isomeric SMILES

CCC1(C(CCN(C1=O)CCC2=CNC3=CC=CC=C32)OC(=S)SC)CC

InChI

InChI=1S/C21H28N2O2S2/c1-4-21(5-2)18(25-20(26)27-3)11-13-23(19(21)24)12-10-15-14-22-17-9-7-6-8-16(15)17/h6-9,14,18,22H,4-5,10-13H2,1-3H3