(3R)-3-(6-chloranyl-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide

Systemtic Name: (3R)-3-(6-chloranyl-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide Openeye Name: (3R)-3-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide CAS Name: (3R)-3-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCC(C2)C3=NC4=C(N3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC[C@H](C2)C3=NC4=C(N3)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN4S/c1-13-5-7-17(10-14(13)2)23-21(27)26-9-3-4-15(12-26)20-24-18-8-6-16(22)11-19(18)25-20/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,23,27)(H,24,25)/t15-/m1/s1