(2R)-2-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-morpholinopropyl)azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-[3-(4-morpholinyl)propyl]-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-morpholinopropyl)azepane-1-carbothioamide Formula: C19H32N4OS MolecularWeight: 364.54858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCCCN3CCOCC3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCCCN3CCOCC3

InChI

InChI=1S/C19H32N4OS/c1-21-10-5-8-17(21)18-7-3-2-4-12-23(18)19(25)20-9-6-11-22-13-15-24-16-14-22/h5,8,10,18H,2-4,6-7,9,11-16H2,1H3,(H,20,25)/t18-/m1/s1