6-chloranyl-5-[(3S)-3-methylpiperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-5-[(3S)-3-methylpiperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-[(3S)-3-methylpiperazin-1-yl]-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-5-[(3S)-3-methyl-1-piperazinyl]-2-(pentan-3-ylthio)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-5-[(3S)-3-methylpiperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-[(3S)-3-methylpiperazino]-1H-benzimidazole dihydrochloride Formula: C17H27Cl3N4S MolecularWeight: 425.84708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNC(C3)C.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN[C@H](C3)C.Cl.Cl

InChI

InChI=1S/C17H25ClN4S.2ClH/c1-4-12(5-2)23-17-20-14-8-13(18)16(9-15(14)21-17)22-7-6-19-11(3)10-22;;/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,20,21);2*1H/t11-;;/m0../s1