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

Systemtic Name: (2R)-N-(2-methoxyethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(2-methoxyethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(2-methoxyethyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(2-methoxyethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-(2-methoxyethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C15H25N3OS MolecularWeight: 295.4435

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCCOC

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCCOC

InChI

InChI=1S/C15H25N3OS/c1-17-10-6-8-13(17)14-7-4-3-5-11-18(14)15(20)16-9-12-19-2/h6,8,10,14H,3-5,7,9,11-12H2,1-2H3,(H,16,20)/t14-/m1/s1