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

Systemtic Name: (2R,5S)-N-butyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R,5S)-N-butyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R,5S)-N-butyl-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R,5S)-N-butyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R,5S)-N-butyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C17H29N3S MolecularWeight: 307.49726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3S/c1-4-5-11-18-17(21)20-13-10-14(2)8-9-16(20)15-7-6-12-19(15)3/h6-7,12,14,16H,4-5,8-11,13H2,1-3H3,(H,18,21)/t14-,16+/m0/s1