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

Systemtic Name: N1,N4-bis[4-[N-[(4-ethoxyphenyl)carbamoyl]-N,N'-diethyl-carbamimidoyl]phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-[N-[(4-ethoxyphenyl)carbamoyl]-N,N'-diethyl-carbamimidoyl]phenyl]terephthalamide CAS Name: N1,N4-bis[4-[[[(4-ethoxyanilino)-oxomethyl]-ethylamino]-ethyliminomethyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-[N-[(4-ethoxyphenyl)carbamoyl]-N,N'-diethylcarbamimidoyl]phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-[N,N'-diethyl-N-(p-phenetylcarbamoyl)amidino]phenyl]terephthalamide Formula: C48H54N8O6 MolecularWeight: 838.99236

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(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)NC4=CC=C(C=C4)OCC)N(CC)C(=O)NC5=CC=C(C=C5)OCC

Isomeric SMILES

CCN=C(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)NC4=CC=C(C=C4)OCC)N(CC)C(=O)NC5=CC=C(C=C5)OCC

InChI

InChI=1S/C48H54N8O6/c1-7-49-43(55(9-3)47(59)53-39-25-29-41(30-26-39)61-11-5)33-17-21-37(22-18-33)51-45(57)35-13-15-36(16-14-35)46(58)52-38-23-19-34(20-24-38)44(50-8-2)56(10-4)48(60)54-40-27-31-42(32-28-40)62-12-6/h13-32H,7-12H2,1-6H3,(H,51,57)(H,52,58)(H,53,59)(H,54,60)