2-[(2-aminophenyl)carbonyl-(ethoxycarbonylcarbamothioyl)amino]ethanoyl 3-(2-aminophenyl)propanoate

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(ethoxycarbonylcarbamothioyl)amino]ethanoyl 3-(2-aminophenyl)propanoate Openeye Name: [2-[(2-aminobenzoyl)-(ethoxycarbonylcarbamothioyl)amino]acetyl] 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-[[(2-aminophenyl)-oxomethyl]-[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(ethoxycarbonylcarbamothioyl)amino]acetyl] 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid [2-[anthraniloyl(carbethoxythiocarbamoyl)amino]acetyl] ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)N(CC(=O)OC(=O)CCC1=CC=CC=C1N)C(=O)C2=CC=CC=C2N

Isomeric SMILES

CCOC(=O)NC(=S)N(CC(=O)OC(=O)CCC1=CC=CC=C1N)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C22H24N4O6S/c1-2-31-22(30)25-21(33)26(20(29)15-8-4-6-10-17(15)24)13-19(28)32-18(27)12-11-14-7-3-5-9-16(14)23/h3-10H,2,11-13,23-24H2,1H3,(H,25,30,33)