3-aminocarbonyl-1-bromanyl-4-[N'-[3-(dibutylamino)propyl]carbamimidoyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-aminocarbonyl-1-bromanyl-4-[N'-[3-(dibutylamino)propyl]carbamimidoyl]naphthalene-2-carboxylic acid Openeye Name: 1-bromo-3-carbamoyl-4-[N'-[3-(dibutylamino)propyl]carbamimidoyl]naphthalene-2-carboxylic acid CAS Name: 4-[amino-[3-(dibutylamino)propylimino]methyl]-1-bromo-3-carbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 1-bromo-3-carbamoyl-4-[N'-[3-(dibutylamino)propyl]carbamimidoyl]naphthalene-2-carboxylic acid Traditional Name: 1-bromo-3-carbamoyl-4-[N'-[3-(dibutylamino)propyl]amidino]-2-naphthoic acid Formula: C24H33BrN4O3 MolecularWeight: 505.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCN=C(C1=C(C(=C(C2=CC=CC=C21)Br)C(=O)O)C(=O)N)N

Isomeric SMILES

CCCCN(CCCC)CCCN=C(C1=C(C(=C(C2=CC=CC=C21)Br)C(=O)O)C(=O)N)N

InChI

InChI=1S/C24H33BrN4O3/c1-3-5-13-29(14-6-4-2)15-9-12-28-22(26)18-16-10-7-8-11-17(16)21(25)20(24(31)32)19(18)23(27)30/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H2,26,28)(H2,27,30)(H,31,32)