2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)-1,4-diazepan-1-yl]ethanol

Systemtic Name: 2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)-1,4-diazepan-1-yl]ethanol Openeye Name: 2-[4-[2-(1-ethylpropylsulfanyl)-3H-benzimidazol-5-yl]-1,4-diazepan-1-yl]ethanol CAS Name: 2-[4-[2-(pentan-3-ylthio)-3H-benzimidazol-5-yl]-1,4-diazepan-1-yl]ethanol IUPAC Name: 2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)-1,4-diazepan-1-yl]ethanol Traditional Name: 2-[4-[2-(1-ethylpropylthio)-3H-benzimidazol-5-yl]-1,4-diazepan-1-yl]ethanol Formula: C19H30N4OS MolecularWeight: 362.5327

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCCN(CC3)CCO

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCCN(CC3)CCO

InChI

InChI=1S/C19H30N4OS/c1-3-16(4-2)25-19-20-17-7-6-15(14-18(17)21-19)23-9-5-8-22(10-11-23)12-13-24/h6-7,14,16,24H,3-5,8-13H2,1-2H3,(H,20,21)