tert-butyl 4-[2-(3-azanyl-3-methyl-butyl)sulfanyl-6-chloranyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-azanyl-3-methyl-butyl)sulfanyl-6-chloranyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-amino-3-methyl-butyl)sulfanyl-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-amino-3-methylbutyl)thio]-6-chloro-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-amino-3-methylbutyl)sulfanyl-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-amino-3-methyl-butyl)thio]-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SCCC(C)(C)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SCCC(C)(C)N)Cl

InChI

InChI=1S/C21H32ClN5O2S/c1-20(2,3)29-19(28)27-9-7-26(8-10-27)17-13-16-15(12-14(17)22)24-18(25-16)30-11-6-21(4,5)23/h12-13H,6-11,23H2,1-5H3,(H,24,25)