(3R)-N-(4-ethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3R)-N-(4-ethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3R)-N-(4-ethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3R)-N-(4-ethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3R)-N-(4-ethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3R)-3-(6-methyl-1H-benzimidazol-2-yl)-N-p-phenetyl-piperidine-1-carbothioamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC[C@H](C2)C3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C22H26N4OS/c1-3-27-18-9-7-17(8-10-18)23-22(28)26-12-4-5-16(14-26)21-24-19-11-6-15(2)13-20(19)25-21/h6-11,13,16H,3-5,12,14H2,1-2H3,(H,23,28)(H,24,25)/t16-/m1/s1