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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(2-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=CC=CS3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=CC=C2SCC3=CC=CS3)N4CCCC4

InChI

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