ethyl 4-[[(2-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(2-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(o-toluoylamino)thiocarbamoylamino]butyric acid ethyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C15H19N3O4S/c1-3-22-13(20)9-8-12(19)16-15(23)18-17-14(21)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,17,21)(H2,16,18,19,23)