(2S,5R)-N-(3-methoxyphenyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2S,5R)-N-(3-methoxyphenyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2S,5R)-N-(3-methoxyphenyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5R)-N-(3-methoxyphenyl)-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2S,5R)-N-(3-methoxyphenyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2S,5R)-N-(3-methoxyphenyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=S)NC2=CC(=CC=C2)OC)C3=CC=CN3C

Isomeric SMILES

C[C@@H]1CC[C@H](N(CC1)C(=S)NC2=CC(=CC=C2)OC)C3=CC=CN3C

InChI

InChI=1S/C20H27N3OS/c1-15-9-10-19(18-8-5-12-22(18)2)23(13-11-15)20(25)21-16-6-4-7-17(14-16)24-3/h4-8,12,14-15,19H,9-11,13H2,1-3H3,(H,21,25)/t15-,19+/m1/s1