(2R)-N-(3-methylphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-(3-methylphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(m-tolyl)azepane-1-carbothioamide CAS Name: (2R)-N-(3-methylphenyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(3-methylphenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(m-tolyl)azepane-1-carbothioamide Formula: C19H25N3S MolecularWeight: 327.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCCCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C19H25N3S/c1-15-8-6-9-16(14-15)20-19(23)22-13-5-3-4-10-18(22)17-11-7-12-21(17)2/h6-9,11-12,14,18H,3-5,10,13H2,1-2H3,(H,20,23)/t18-/m1/s1