(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]azepane-1-carbothioamide

Systemtic Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]azepane-1-carbothioamide Openeye Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]azepane-1-carbothioamide CAS Name: (2S,5S)-5-methyl-2-(1-methyl-2-pyrrolyl)-N-[[(2S)-2-oxolanyl]methyl]-1-azepanecarbothioamide IUPAC Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]azepane-1-carbothioamide Traditional Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]azepane-1-carbothioamide Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=S)NCC2CCCO2)C3=CC=CN3C

Isomeric SMILES

C[C@H]1CC[C@H](N(CC1)C(=S)NC[C@@H]2CCCO2)C3=CC=CN3C

InChI

InChI=1S/C18H29N3OS/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/h3,6,10,14-15,17H,4-5,7-9,11-13H2,1-2H3,(H,19,23)/t14-,15-,17-/m0/s1