tert-butyl 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-2-(hydroxymethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-2-(hydroxymethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]-2-(hydroxymethyl)piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-2-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-2-(hydroxymethyl)piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]-2-methylol-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33ClN4O3S MolecularWeight: 469.04042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)CO)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)CO)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33ClN4O3S/c1-6-15(7-2)31-20-24-17-10-16(23)19(11-18(17)25-20)26-8-9-27(14(12-26)13-28)21(29)30-22(3,4)5/h10-11,14-15,28H,6-9,12-13H2,1-5H3,(H,24,25)