N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-2-(methylthio)nicotinamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCCC3

InChI

InChI=1S/C21H28N4OS/c1-24(2)17-10-8-16(9-11-17)19(25-13-4-5-14-25)15-23-20(26)18-7-6-12-22-21(18)27-3/h6-12,19H,4-5,13-15H2,1-3H3,(H,23,26)