2-methoxyethyl 4-[[(4-benzamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(4-benzamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-benzamidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24N4O6S/c1-31-13-14-32-19(28)12-11-18(27)24-22(33)26-25-21(30)16-7-9-17(10-8-16)23-20(29)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,23,29)(H,25,30)(H2,24,26,27,33)