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

Systemtic Name: N1,N4-bis[4-(N,N'-diethyl-N-hexanoyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(N,N'-diethyl-N-hexanoyl-carbamimidoyl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-[ethylimino-[ethyl(1-oxohexyl)amino]methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(N,N'-diethyl-N-hexanoylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(N-caproyl-N,N'-diethyl-amidino)phenyl]terephthalamide Formula: C42H56N6O4 MolecularWeight: 708.93184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC)C(=NCC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCC)N(CC)C(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)N(CC)C(=NCC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCC)N(CC)C(=O)CCCCC

InChI

InChI=1S/C42H56N6O4/c1-7-13-15-17-37(49)47(11-5)39(43-9-3)31-23-27-35(28-24-31)45-41(51)33-19-21-34(22-20-33)42(52)46-36-29-25-32(26-30-36)40(44-10-4)48(12-6)38(50)18-16-14-8-2/h19-30H,7-18H2,1-6H3,(H,45,51)(H,46,52)