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

Systemtic Name: 2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanamine trihydrochloride Openeye Name: 2-[4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanamine trihydrochloride CAS Name: 2-[4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethanamine trihydrochloride IUPAC Name: 2-[4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanamine trihydrochloride Traditional Name: 2-[4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazino]ethylamine trihydrochloride Formula: C18H31Cl4N5S MolecularWeight: 491.34924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5S.3ClH/c1-3-13(4-2)25-18-21-15-11-14(19)17(12-16(15)22-18)24-9-7-23(6-5-20)8-10-24;;;/h11-13H,3-10,20H2,1-2H3,(H,21,22);3*1H