N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3-thienylmethylsulfanyl)benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(3-thiophenylmethylthio)benzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(3-thenylthio)benzamide Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=CC=C2SCC3=CSC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=CC=C2SCC3=CSC=C3)N4CCCC4

InChI

InChI=1S/C25H28N2O2S2/c1-29-21-8-6-7-20(15-21)23(27-12-4-5-13-27)16-26-25(28)22-9-2-3-10-24(22)31-18-19-11-14-30-17-19/h2-3,6-11,14-15,17,23H,4-5,12-13,16,18H2,1H3,(H,26,28)