(2R)-N-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(4-fluorophenyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-(4-fluorophenyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C18H22FN3S MolecularWeight: 331.450783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3S/c1-21-12-5-7-16(21)17-6-3-2-4-13-22(17)18(23)20-15-10-8-14(19)9-11-15/h5,7-12,17H,2-4,6,13H2,1H3,(H,20,23)/t17-/m1/s1