[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C18H25N3O3S2/c1-20(2)15-7-5-14(6-8-15)11-19-16(22)12-24-17(23)13-26-18(25)21-9-3-4-10-21/h5-8H,3-4,9-13H2,1-2H3,(H,19,22)