4-bromanyl-N-[2-(2,5-dihydropyrrol-1-yl)-4-methylsulfanyl-cyclooctyl]-N-methyl-benzamide

Systemtic Name: 4-bromanyl-N-[2-(2,5-dihydropyrrol-1-yl)-4-methylsulfanyl-cyclooctyl]-N-methyl-benzamide Openeye Name: 4-bromo-N-[2-(2,5-dihydropyrrol-1-yl)-4-methylsulfanyl-cyclooctyl]-N-methyl-benzamide CAS Name: 4-bromo-N-[2-(2,5-dihydropyrrol-1-yl)-4-(methylthio)cyclooctyl]-N-methylbenzamide IUPAC Name: 4-bromo-N-[2-(2,5-dihydropyrrol-1-yl)-4-methylsulfanylcyclooctyl]-N-methylbenzamide Traditional Name: 4-bromo-N-methyl-N-[4-(methylthio)-2-(3-pyrrolin-1-yl)cyclooctyl]benzamide Formula: C21H29BrN2OS MolecularWeight: 437.43676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC(CC1N2CC=CC2)SC)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C1CCCCC(CC1N2CC=CC2)SC)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H29BrN2OS/c1-23(21(25)16-9-11-17(22)12-10-16)19-8-4-3-7-18(26-2)15-20(19)24-13-5-6-14-24/h5-6,9-12,18-20H,3-4,7-8,13-15H2,1-2H3