(2R)-2-(1-methylpyrrol-2-yl)-N-propan-2-yl-azepane-1-carbothioamide

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-propan-2-yl-azepane-1-carbothioamide Openeye Name: (2R)-N-isopropyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-propan-2-yl-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-propan-2-ylazepane-1-carbothioamide Traditional Name: (2R)-N-isopropyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C15H25N3S MolecularWeight: 279.4441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCCCCC1C2=CC=CN2C

Isomeric SMILES

CC(C)NC(=S)N1CCCCC[C@@H]1C2=CC=CN2C

InChI

InChI=1S/C15H25N3S/c1-12(2)16-15(19)18-11-6-4-5-8-14(18)13-9-7-10-17(13)3/h7,9-10,12,14H,4-6,8,11H2,1-3H3,(H,16,19)/t14-/m1/s1