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

Systemtic Name: tert-butyl 4-[2-(3-azido-3-methyl-butyl)sulfanyl-6-chloranyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-azido-3-methyl-butyl)sulfanyl-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-azido-3-methylbutyl)thio]-6-chloro-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-azido-3-methylbutyl)sulfanyl-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-azido-3-methyl-butyl)thio]-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30ClN7O2S MolecularWeight: 480.0266

Click to see the large picture

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=[N+]=[N-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SCCC(C)(C)N=[N+]=[N-])Cl

InChI

InChI=1S/C21H30ClN7O2S/c1-20(2,3)31-19(30)29-9-7-28(8-10-29)17-13-16-15(12-14(17)22)24-18(25-16)32-11-6-21(4,5)26-27-23/h12-13H,6-11H2,1-5H3,(H,24,25)