4-bromanyl-N-methyl-N-(5-propylsulfanyl-2-pyrrolidin-1-yl-cyclohexyl)benzamide

Systemtic Name: 4-bromanyl-N-methyl-N-(5-propylsulfanyl-2-pyrrolidin-1-yl-cyclohexyl)benzamide Openeye Name: 4-bromo-N-methyl-N-(5-propylsulfanyl-2-pyrrolidin-1-yl-cyclohexyl)benzamide CAS Name: 4-bromo-N-methyl-N-[5-(propylthio)-2-(1-pyrrolidinyl)cyclohexyl]benzamide IUPAC Name: 4-bromo-N-methyl-N-(5-propylsulfanyl-2-pyrrolidin-1-ylcyclohexyl)benzamide Traditional Name: 4-bromo-N-methyl-N-[5-(propylthio)-2-pyrrolidino-cyclohexyl]benzamide Formula: C21H31BrN2OS MolecularWeight: 439.45264

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1CCC(C(C1)N(C)C(=O)C2=CC=C(C=C2)Br)N3CCCC3

Isomeric SMILES

CCCSC1CCC(C(C1)N(C)C(=O)C2=CC=C(C=C2)Br)N3CCCC3

InChI

InChI=1S/C21H31BrN2OS/c1-3-14-26-18-10-11-19(24-12-4-5-13-24)20(15-18)23(2)21(25)16-6-8-17(22)9-7-16/h6-9,18-20H,3-5,10-15H2,1-2H3