(2R)-2-(1-methylpyrrol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]azepane-1-carbothioamide

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-[[(2R)-2-oxolanyl]methyl]-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]azepane-1-carbothioamide Formula: C17H27N3OS MolecularWeight: 321.48078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCC3CCCO3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C17H27N3OS/c1-19-10-5-9-15(19)16-8-3-2-4-11-20(16)17(22)18-13-14-7-6-12-21-14/h5,9-10,14,16H,2-4,6-8,11-13H2,1H3,(H,18,22)/t14-,16-/m1/s1