methyl 2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]acetate CAS Name: 2-[4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazino]acetic acid methyl ester Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC(=O)OC

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC(=O)OC

InChI

InChI=1S/C19H27ClN4O2S/c1-4-13(5-2)27-19-21-15-10-14(20)17(11-16(15)22-19)24-8-6-23(7-9-24)12-18(25)26-3/h10-11,13H,4-9,12H2,1-3H3,(H,21,22)