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

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-methylsulfanylpropyl)azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-methylsulfanylpropyl)azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-[3-(methylthio)propyl]-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(3-methylsulfanylpropyl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-[3-(methylthio)propyl]azepane-1-carbothioamide Formula: C16H27N3S2 MolecularWeight: 325.53568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCCCSC

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3S2/c1-18-11-6-9-14(18)15-8-4-3-5-12-19(15)16(20)17-10-7-13-21-2/h6,9,11,15H,3-5,7-8,10,12-13H2,1-2H3,(H,17,20)/t15-/m1/s1