5-chloranyl-2-(4-methoxy-4-methyl-pentan-2-yl)sulfanyl-6-piperidin-4-yl-1H-benzimidazole

Systemtic Name: 5-chloranyl-2-(4-methoxy-4-methyl-pentan-2-yl)sulfanyl-6-piperidin-4-yl-1H-benzimidazole Openeye Name: 5-chloro-2-(3-methoxy-1,3-dimethyl-butyl)sulfanyl-6-(4-piperidyl)-1H-benzimidazole CAS Name: 5-chloro-2-[(4-methoxy-4-methylpentan-2-yl)thio]-6-(4-piperidinyl)-1H-benzimidazole IUPAC Name: 5-chloro-2-(4-methoxy-4-methylpentan-2-yl)sulfanyl-6-piperidin-4-yl-1H-benzimidazole Traditional Name: 5-chloro-2-[(3-methoxy-1,3-dimethyl-butyl)thio]-6-(4-piperidyl)-1H-benzimidazole Formula: C19H28ClN3OS MolecularWeight: 381.96312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)OC)SC1=NC2=C(N1)C=C(C(=C2)Cl)C3CCNCC3

Isomeric SMILES

CC(CC(C)(C)OC)SC1=NC2=C(N1)C=C(C(=C2)Cl)C3CCNCC3

InChI

InChI=1S/C19H28ClN3OS/c1-12(11-19(2,3)24-4)25-18-22-16-9-14(13-5-7-21-8-6-13)15(20)10-17(16)23-18/h9-10,12-13,21H,5-8,11H2,1-4H3,(H,22,23)