(2S,5S)-N-(furan-2-ylmethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2S,5S)-N-(furan-2-ylmethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2S,5S)-N-(2-furylmethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-N-(2-furanylmethyl)-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2S,5S)-N-(furan-2-ylmethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2S,5S)-N-(2-furfuryl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=S)NCC2=CC=CO2)C3=CC=CN3C

Isomeric SMILES

C[C@H]1CC[C@H](N(CC1)C(=S)NCC2=CC=CO2)C3=CC=CN3C

InChI

InChI=1S/C18H25N3OS/c1-14-7-8-17(16-6-3-10-20(16)2)21(11-9-14)18(23)19-13-15-5-4-12-22-15/h3-6,10,12,14,17H,7-9,11,13H2,1-2H3,(H,19,23)/t14-,17-/m0/s1