(3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: (3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carbothioamide Openeye Name: (3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carbothioamide CAS Name: (3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2-ethoxyphenyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-o-phenetyl-piperidine-1-carbothioamide Formula: C23H28N4OS MolecularWeight: 408.55962

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-4-28-21-10-6-5-9-18(21)26-23(29)27-11-7-8-17(14-27)22-24-19-12-15(2)16(3)13-20(19)25-22/h5-6,9-10,12-13,17H,4,7-8,11,14H2,1-3H3,(H,24,25)(H,26,29)/t17-/m1/s1