[4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-4-methyl-pentan-2-yl] ethanoate

Systemtic Name: [4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-4-methyl-pentan-2-yl] ethanoate Openeye Name: [3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-1,3-dimethyl-butyl] acetate CAS Name: acetic acid [4-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-4-methylpentan-2-yl] ester IUPAC Name: [4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-4-methylpentan-2-yl] acetate Traditional Name: acetic acid [3-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]-1,3-dimethyl-butyl] ester Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC(=O)C

Isomeric SMILES

CC(CC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC(=O)C

InChI

InChI=1S/C19H27ClN4O2S/c1-12(26-13(2)25)11-19(3,4)27-18-22-15-9-14(20)17(10-16(15)23-18)24-7-5-21-6-8-24/h9-10,12,21H,5-8,11H2,1-4H3,(H,22,23)