[4-(6-methoxy-5-oxidanyl-4-oxidanylidene-3-pentan-3-yloxy-chromen-2-yl)sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate dihydrochloride

Systemtic Name: [4-(6-methoxy-5-oxidanyl-4-oxidanylidene-3-pentan-3-yloxy-chromen-2-yl)sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate dihydrochloride Openeye Name: [4-[3-(1-ethylpropoxy)-5-hydroxy-6-methoxy-4-oxo-chromen-2-yl]sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate dihydrochloride CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]benzoic acid [4-[(5-hydroxy-6-methoxy-4-oxo-3-pentan-3-yloxy-1-benzopyran-2-yl)thio]phenyl] ester dihydrochloride IUPAC Name: [4-(5-hydroxy-6-methoxy-4-oxo-3-pentan-3-yloxychromen-2-yl)sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate dihydrochloride Traditional Name: 4-[(4-methylpiperazino)methyl]benzoic acid [4-[[3-(1-ethylpropoxy)-5-hydroxy-4-keto-6-methoxy-chromen-2-yl]thio]phenyl] ester dihydrochloride Formula: C34H40Cl2N2O7S MolecularWeight: 691.6616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(OC2=C(C1=O)C(=C(C=C2)OC)O)SC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C.Cl.Cl

Isomeric SMILES

CCC(CC)OC1=C(OC2=C(C1=O)C(=C(C=C2)OC)O)SC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C.Cl.Cl

InChI

InChI=1S/C34H38N2O7S.2ClH/c1-5-24(6-2)41-32-31(38)29-27(15-16-28(40-4)30(29)37)43-34(32)44-26-13-11-25(12-14-26)42-33(39)23-9-7-22(8-10-23)21-36-19-17-35(3)18-20-36;;/h7-16,24,37H,5-6,17-21H2,1-4H3;2*1H