(2R,5S)-N-ethyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R,5S)-N-ethyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R,5S)-N-ethyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R,5S)-N-ethyl-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R,5S)-N-ethyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R,5S)-N-ethyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C15H25N3S MolecularWeight: 279.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC(CCC1C2=CC=CN2C)C

Isomeric SMILES

CCNC(=S)N1CC[C@H](CC[C@@H]1C2=CC=CN2C)C

InChI

InChI=1S/C15H25N3S/c1-4-16-15(19)18-11-9-12(2)7-8-14(18)13-6-5-10-17(13)3/h5-6,10,12,14H,4,7-9,11H2,1-3H3,(H,16,19)/t12-,14+/m0/s1