2-[(Z)-N-(octanoylamino)-C-thiophen-2-yl-carbonimidoyl]benzoic acid

Systemtic Name: 2-[(Z)-N-(octanoylamino)-C-thiophen-2-yl-carbonimidoyl]benzoic acid Openeye Name: 2-[(Z)-N-(octanoylamino)-C-(2-thienyl)carbonimidoyl]benzoic acid CAS Name: 2-[(Z)-(1-oxooctylhydrazinylidene)-thiophen-2-ylmethyl]benzoic acid IUPAC Name: 2-[(Z)-N-(octanoylamino)-C-thiophen-2-ylcarbonimidoyl]benzoic acid Traditional Name: 2-[(Z)-N-(caprylylamino)-C-(2-thienyl)carbonimidoyl]benzoic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=C(C1=CC=CC=C1C(=O)O)C2=CC=CS2

Isomeric SMILES

CCCCCCCC(=O)N/N=C(/C1=CC=CC=C1C(=O)O)\C2=CC=CS2

InChI

InChI=1S/C20H24N2O3S/c1-2-3-4-5-6-13-18(23)21-22-19(17-12-9-14-26-17)15-10-7-8-11-16(15)20(24)25/h7-12,14H,2-6,13H2,1H3,(H,21,23)(H,24,25)/b22-19-