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

Systemtic Name: (2R)-N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(o-tolyl)azepane-1-carbothioamide CAS Name: (2R)-N-(2-methylphenyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(o-tolyl)azepane-1-carbothioamide Formula: C19H25N3S MolecularWeight: 327.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCCCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C19H25N3S/c1-15-9-5-6-10-16(15)20-19(23)22-14-7-3-4-11-18(22)17-12-8-13-21(17)2/h5-6,8-10,12-13,18H,3-4,7,11,14H2,1-2H3,(H,20,23)/t18-/m1/s1