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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCC[C@H](C2)C3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C22H26N4OS/c1-3-27-20-9-5-4-8-18(20)25-22(28)26-12-6-7-16(14-26)21-23-17-11-10-15(2)13-19(17)24-21/h4-5,8-11,13,16H,3,6-7,12,14H2,1-2H3,(H,23,24)(H,25,28)/t16-/m1/s1