(2R)-N-[(4-methoxyphenyl)methyl]-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H27N3OS/c1-22-13-6-8-18(22)19-7-4-3-5-14-23(19)20(25)21-15-16-9-11-17(24-2)12-10-16/h6,8-13,19H,3-5,7,14-15H2,1-2H3,(H,21,25)/t19-/m1/s1