N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-methylsulfanyl-1H-benzimidazole-4-carboxamide dihydrochloride

Systemtic Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-methylsulfanyl-1H-benzimidazole-4-carboxamide dihydrochloride Openeye Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]-2-methylsulfanyl-1H-benzimidazole-4-carboxamide dihydrochloride CAS Name: N-[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-2-(methylthio)-1H-benzimidazole-4-carboxamide dihydrochloride IUPAC Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-2-methylsulfanyl-1H-benzimidazole-4-carboxamide dihydrochloride Traditional Name: N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-2-(methylthio)-1H-benzimidazole-4-carboxamide dihydrochloride Formula: C36H46Cl2N6O5S MolecularWeight: 745.75864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)SC)OC)OCCCCCC(=O)N5CCN(CC5)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)SC)OC)OCCCCCC(=O)N5CCN(CC5)C.Cl.Cl

InChI

InChI=1S/C36H44N6O5S.2ClH/c1-24-13-16-29(31(22-24)47-21-8-6-7-12-32(43)42-19-17-40(2)18-20-42)41(3)35(45)25-14-15-27(30(23-25)46-4)37-34(44)26-10-9-11-28-33(26)39-36(38-28)48-5;;/h9-11,13-16,22-23H,6-8,12,17-21H2,1-5H3,(H,37,44)(H,38,39);2*1H