N1,N4-bis[4-(N-cyclohexyl-N'-methyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-(N-cyclohexyl-N'-methyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(N-cyclohexyl-N'-methyl-carbamimidoyl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-[(cyclohexylamino)-methyliminomethyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(N-cyclohexyl-N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(N-cyclohexyl-N'-methyl-amidino)phenyl]terephthalamide Formula: C36H44N6O2 MolecularWeight: 592.77356

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NC4CCCCC4)NC5CCCCC5

Isomeric SMILES

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NC4CCCCC4)NC5CCCCC5

InChI

InChI=1S/C36H44N6O2/c1-37-33(39-29-9-5-3-6-10-29)25-17-21-31(22-18-25)41-35(43)27-13-15-28(16-14-27)36(44)42-32-23-19-26(20-24-32)34(38-2)40-30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,37,39)(H,38,40)(H,41,43)(H,42,44)