6-chloranyl-5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(1-ethylpropylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-5-[4-(cyclopropylmethyl)-1-piperazinyl]-2-(pentan-3-ylthio)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-[4-(cyclopropylmethyl)piperazino]-2-(1-ethylpropylthio)-1H-benzimidazole dihydrochloride Formula: C20H31Cl3N4S MolecularWeight: 465.91094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4CC4.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4CC4.Cl.Cl

InChI

InChI=1S/C20H29ClN4S.2ClH/c1-3-15(4-2)26-20-22-17-11-16(21)19(12-18(17)23-20)25-9-7-24(8-10-25)13-14-5-6-14;;/h11-12,14-15H,3-10,13H2,1-2H3,(H,22,23);2*1H