2-methyl-4-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]hexan-2-ol

Systemtic Name: 2-methyl-4-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]hexan-2-ol Openeye Name: 2-methyl-4-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]hexan-2-ol CAS Name: 2-methyl-4-[[6-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-2-hexanol IUPAC Name: 2-methyl-4-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]hexan-2-ol Traditional Name: 2-methyl-4-[(6-piperazino-1H-benzimidazol-2-yl)thio]hexan-2-ol Formula: C18H28N4OS MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)O)SC1=NC2=C(N1)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CCC(CC(C)(C)O)SC1=NC2=C(N1)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C18H28N4OS/c1-4-14(12-18(2,3)23)24-17-20-15-6-5-13(11-16(15)21-17)22-9-7-19-8-10-22/h5-6,11,14,19,23H,4,7-10,12H2,1-3H3,(H,20,21)