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

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-phenylsulfanylethyl)azepane-1-carbothioamide Openeye Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-phenylsulfanylethyl)azepane-1-carbothioamide CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-N-[2-(phenylthio)ethyl]-1-azepanecarbothioamide IUPAC Name: (2R)-2-(1-methylpyrrol-2-yl)-N-(2-phenylsulfanylethyl)azepane-1-carbothioamide Traditional Name: (2R)-2-(1-methylpyrrol-2-yl)-N-[2-(phenylthio)ethyl]azepane-1-carbothioamide Formula: C20H27N3S2 MolecularWeight: 373.57848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H27N3S2/c1-22-14-8-12-18(22)19-11-6-3-7-15-23(19)20(24)21-13-16-25-17-9-4-2-5-10-17/h2,4-5,8-10,12,14,19H,3,6-7,11,13,15-16H2,1H3,(H,21,24)/t19-/m1/s1