methyl 4-[(2-aminocarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-aminocarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-carbamoylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-carbamoylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-carbamoylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-carbamoylphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C13H15N3O4S/c1-20-11(18)7-6-10(17)16-13(21)15-9-5-3-2-4-8(9)12(14)19/h2-5H,6-7H2,1H3,(H2,14,19)(H2,15,16,17,21)