methyl 6-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H31N3O2S MolecularWeight: 365.53334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H31N3O2S/c1-21-14-9-11-16(21)17-10-5-4-8-15-22(17)19(25)20-13-7-3-6-12-18(23)24-2/h9,11,14,17H,3-8,10,12-13,15H2,1-2H3,(H,20,25)/t17-/m1/s1