(3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide Openeye Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide CAS Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide Traditional Name: (3S)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)[C@H]3CCCN(C3)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4OS/c1-14-11-19-20(12-15(14)2)25-21(24-19)16-5-4-10-26(13-16)22(28)23-17-6-8-18(27-3)9-7-17/h6-9,11-12,16H,4-5,10,13H2,1-3H3,(H,23,28)(H,24,25)/t16-/m0/s1