(2R)-N-(2-dimethylaminoethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-(2-dimethylaminoethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(2-dimethylaminoethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(2-dimethylaminoethyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(2-dimethylaminoethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-(2-dimethylaminoethyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C16H28N4S MolecularWeight: 308.48532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4S/c1-18(2)13-10-17-16(21)20-12-6-4-5-8-15(20)14-9-7-11-19(14)3/h7,9,11,15H,4-6,8,10,12-13H2,1-3H3,(H,17,21)/t15-/m1/s1