N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-yl-cycloheptyl]-4-bromanyl-N-methyl-benzamide

Systemtic Name: N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-yl-cycloheptyl]-4-bromanyl-N-methyl-benzamide Openeye Name: N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-yl-cycloheptyl]-4-bromo-N-methyl-benzamide CAS Name: N-[5,5-bis(ethylthio)-2-(1-pyrrolidinyl)cycloheptyl]-4-bromo-N-methylbenzamide IUPAC Name: N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-ylcycloheptyl]-4-bromo-N-methylbenzamide Traditional Name: N-[5,5-bis(ethylthio)-2-pyrrolidino-cycloheptyl]-4-bromo-N-methyl-benzamide Formula: C23H35BrN2OS2 MolecularWeight: 499.5708

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(CCC(C(CC1)N(C)C(=O)C2=CC=C(C=C2)Br)N3CCCC3)SCC

Isomeric SMILES

CCSC1(CCC(C(CC1)N(C)C(=O)C2=CC=C(C=C2)Br)N3CCCC3)SCC

InChI

InChI=1S/C23H35BrN2OS2/c1-4-28-23(29-5-2)14-12-20(21(13-15-23)26-16-6-7-17-26)25(3)22(27)18-8-10-19(24)11-9-18/h8-11,20-21H,4-7,12-17H2,1-3H3