2-dimethylaminoethyl 11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoate

Systemtic Name: 2-dimethylaminoethyl 11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoate Openeye Name: 2-dimethylaminoethyl 11-benzylsulfanylcarbothioylsulfanylundecanoate CAS Name: 11-[[(phenylmethylthio)-sulfanylidenemethyl]thio]undecanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 11-benzylsulfanylcarbothioylsulfanylundecanoate Traditional Name: 11-[(benzylthio)carbothioylthio]undecanoic acid 2-dimethylaminoethyl ester Formula: C23H37NO2S3 MolecularWeight: 455.74038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)CCCCCCCCCCSC(=S)SCC1=CC=CC=C1

Isomeric SMILES

CN(C)CCOC(=O)CCCCCCCCCCSC(=S)SCC1=CC=CC=C1

InChI

InChI=1S/C23H37NO2S3/c1-24(2)17-18-26-22(25)16-12-7-5-3-4-6-8-13-19-28-23(27)29-20-21-14-10-9-11-15-21/h9-11,14-15H,3-8,12-13,16-20H2,1-2H3