(2R)-N-(4-ethoxyphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-(4-ethoxyphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(4-ethoxyphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(4-ethoxyphenyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(4-ethoxyphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-p-phenetyl-azepane-1-carbothioamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCCCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C20H27N3OS/c1-3-24-17-12-10-16(11-13-17)21-20(25)23-15-6-4-5-8-19(23)18-9-7-14-22(18)2/h7,9-14,19H,3-6,8,15H2,1-2H3,(H,21,25)/t19-/m1/s1