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

Systemtic Name: N1,N4-bis[4-(N'-methyl-N-phenethyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(N'-methyl-N-phenethyl-carbamimidoyl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-[methylimino-(phenethylamino)methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(N'-methyl-N-phenethylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(N'-methyl-N-phenethyl-amidino)phenyl]terephthalamide Formula: C40H40N6O2 MolecularWeight: 636.7846

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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)NCCC4=CC=CC=C4)NCCC5=CC=CC=C5

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)NCCC4=CC=CC=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C40H40N6O2/c1-41-37(43-27-25-29-9-5-3-6-10-29)31-17-21-35(22-18-31)45-39(47)33-13-15-34(16-14-33)40(48)46-36-23-19-32(20-24-36)38(42-2)44-28-26-30-11-7-4-8-12-30/h3-24H,25-28H2,1-2H3,(H,41,43)(H,42,44)(H,45,47)(H,46,48)