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

Systemtic Name: N1,N4-bis[4-(N-butyl-N'-methyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(N-butyl-N'-methyl-carbamimidoyl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-[butylamino(methylimino)methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(N-butyl-N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(N-butyl-N'-methyl-amidino)phenyl]terephthalamide Formula: C32H40N6O2 MolecularWeight: 540.699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=NC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NCCCC

Isomeric SMILES

CCCCNC(=NC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NCCCC

InChI

InChI=1S/C32H40N6O2/c1-5-7-21-35-29(33-3)23-13-17-27(18-14-23)37-31(39)25-9-11-26(12-10-25)32(40)38-28-19-15-24(16-20-28)30(34-4)36-22-8-6-2/h9-20H,5-8,21-22H2,1-4H3,(H,33,35)(H,34,36)(H,37,39)(H,38,40)