6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid dihydrochloride

Systemtic Name: 6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid dihydrochloride Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid dihydrochloride CAS Name: 6-cyclohexyl-4-[2-(4-cyclohexyl-1-piperazinyl)ethyl]-5-(4-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid dihydrochloride IUPAC Name: 6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid dihydrochloride Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-4-[2-(4-cyclohexylpiperazino)ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid dihydrochloride Formula: C38H49Cl2N3O3S MolecularWeight: 698.78496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CCN4CCN(CC4)C5CCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7.Cl.Cl

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CCN4CCN(CC4)C5CCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7.Cl.Cl

InChI

InChI=1S/C38H47N3O3S.2ClH/c42-38(43)34-26-33-37(45-34)35(29-12-6-2-7-13-29)36(30-16-18-32(19-17-30)44-27-28-10-4-1-5-11-28)41(33)25-22-39-20-23-40(24-21-39)31-14-8-3-9-15-31;;/h1,4-5,10-11,16-19,26,29,31H,2-3,6-9,12-15,20-25,27H2,(H,42,43);2*1H