(2R)-2-(1-methylpyrrol-2-yl)-N-prop-2-enyl-azepane-1-carbothioamide

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-prop-2-enyl-azepane-1-carbothioamide Openeye Name: (2R)-N-allyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-prop-2-enyl-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-prop-2-enylazepane-1-carbothioamide Traditional Name: (2R)-N-allyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C15H23N3S MolecularWeight: 277.42822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3S/c1-3-10-16-15(19)18-12-6-4-5-8-14(18)13-9-7-11-17(13)2/h3,7,9,11,14H,1,4-6,8,10,12H2,2H3,(H,16,19)/t14-/m1/s1