(2R)-N-(furan-2-ylmethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(2-furylmethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(2-furanylmethyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(furan-2-ylmethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-(2-furfuryl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H23N3OS/c1-19-10-5-9-15(19)16-8-3-2-4-11-20(16)17(22)18-13-14-7-6-12-21-14/h5-7,9-10,12,16H,2-4,8,11,13H2,1H3,(H,18,22)/t16-/m1/s1