2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-1,4-diazepan-1-yl]ethanol

Systemtic Name: 2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-1,4-diazepan-1-yl]ethanol Openeye Name: 2-[4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]-1,4-diazepan-1-yl]ethanol CAS Name: 2-[4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1,4-diazepan-1-yl]ethanol IUPAC Name: 2-[4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)-1,4-diazepan-1-yl]ethanol Traditional Name: 2-[4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]-1,4-diazepan-1-yl]ethanol Formula: C19H29ClN4OS MolecularWeight: 396.97776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCN(CC3)CCO

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCN(CC3)CCO

InChI

InChI=1S/C19H29ClN4OS/c1-3-14(4-2)26-19-21-16-12-15(20)18(13-17(16)22-19)24-7-5-6-23(8-9-24)10-11-25/h12-14,25H,3-11H2,1-2H3,(H,21,22)