2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]propane-1,3-diol

Systemtic Name: 2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]propane-1,3-diol Openeye Name: 2-[4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]propane-1,3-diol CAS Name: 2-[4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]propane-1,3-diol IUPAC Name: 2-[4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]propane-1,3-diol Traditional Name: 2-[4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazino]propane-1,3-diol Formula: C19H29ClN4O2S MolecularWeight: 412.97716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4O2S/c1-3-14(4-2)27-19-21-16-9-15(20)18(10-17(16)22-19)24-7-5-23(6-8-24)13(11-25)12-26/h9-10,13-14,25-26H,3-8,11-12H2,1-2H3,(H,21,22)