(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S2/c1-22(2)28(25,26)17-10-7-9-16(15-17)21-20(27)24-14-6-4-5-11-19(24)18-12-8-13-23(18)3/h7-10,12-13,15,19H,4-6,11,14H2,1-3H3,(H,21,27)/t19-/m1/s1