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

Systemtic Name: (2R)-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(2-fluorophenyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C18H22FN3S MolecularWeight: 331.450783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C18H22FN3S/c1-21-12-7-11-16(21)17-10-3-2-6-13-22(17)18(23)20-15-9-5-4-8-14(15)19/h4-5,7-9,11-12,17H,2-3,6,10,13H2,1H3,(H,20,23)/t17-/m1/s1