N1,N4-bis[4-(N'-propan-2-ylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide chloride

Systemtic Name: N1,N4-bis[4-(N'-propan-2-ylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide chloride Openeye Name: N1,N4-bis[4-(N'-isopropylcarbamimidoyl)phenyl]terephthalamide chloride CAS Name: N1,N4-bis[4-[amino(propan-2-ylimino)methyl]phenyl]benzene-1,4-dicarboxamide chloride IUPAC Name: 1-N,4-N-bis[4-(N'-propan-2-ylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide chloride Traditional Name: N,N'-bis[4-(N'-isopropylamidino)phenyl]terephthalamide chloride Formula: C28H32ClN6O2- MolecularWeight: 520.04568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC(C)C)N)N.[Cl-]

Isomeric SMILES

CC(C)N=C(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC(C)C)N)N.[Cl-]

InChI

InChI=1S/C28H32N6O2.ClH/c1-17(2)31-25(29)19-9-13-23(14-10-19)33-27(35)21-5-7-22(8-6-21)28(36)34-24-15-11-20(12-16-24)26(30)32-18(3)4;/h5-18H,1-4H3,(H2,29,31)(H2,30,32)(H,33,35)(H,34,36);1H/p-1