(3S)-N-(2,3-dimethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(2,3-dimethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(2,3-dimethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-N-(2,3-dimethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(2,3-dimethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(2,3-dimethylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCCN(C3)C(=S)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C22H26N4S/c1-14-9-10-19-20(12-14)24-21(23-19)17-7-5-11-26(13-17)22(27)25-18-8-4-6-15(2)16(18)3/h4,6,8-10,12,17H,5,7,11,13H2,1-3H3,(H,23,24)(H,25,27)/t17-/m0/s1