tert-butyl 4-[6-chloranyl-2-(2-methyl-1-sulfanyl-butyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methyl-1-sulfanyl-butyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(2-methyl-1-sulfanyl-butyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-mercapto-2-methylbutyl)-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-methyl-1-sulfanylbutyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(1-mercapto-2-methyl-butyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31ClN4O2S MolecularWeight: 439.01444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C)S

Isomeric SMILES

CCC(C)C(C1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C)S

InChI

InChI=1S/C21H31ClN4O2S/c1-6-13(2)18(29)19-23-15-11-14(22)17(12-16(15)24-19)25-7-9-26(10-8-25)20(27)28-21(3,4)5/h11-13,18,29H,6-10H2,1-5H3,(H,23,24)