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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN4S/c1-13-3-5-17(14(2)11-13)25-21(27)26-9-7-15(8-10-26)20-23-18-6-4-16(22)12-19(18)24-20/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24)(H,25,27)