diethyl 1-[3-[4-(acridin-9-ylamino)phenyl]propyl]-2-methylsulfanyl-imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-[3-[4-(acridin-9-ylamino)phenyl]propyl]-2-methylsulfanyl-imidazole-4,5-dicarboxylate Openeye Name: diethyl 1-[3-[4-(acridin-9-ylamino)phenyl]propyl]-2-methylsulfanyl-imidazole-4,5-dicarboxylate CAS Name: 1-[3-[4-(9-acridinylamino)phenyl]propyl]-2-(methylthio)imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[3-[4-(acridin-9-ylamino)phenyl]propyl]-2-methylsulfanylimidazole-4,5-dicarboxylate Traditional Name: 1-[3-[4-(acridin-9-ylamino)phenyl]propyl]-2-(methylthio)imidazole-4,5-dicarboxylic acid diethyl ester Formula: C32H32N4O4S MolecularWeight: 568.68588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N1)SC)CCCC2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N1)SC)CCCC2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OCC

InChI

InChI=1S/C32H32N4O4S/c1-4-39-30(37)28-29(31(38)40-5-2)36(32(35-28)41-3)20-10-11-21-16-18-22(19-17-21)33-27-23-12-6-8-14-25(23)34-26-15-9-7-13-24(26)27/h6-9,12-19H,4-5,10-11,20H2,1-3H3,(H,33,34)