methyl 4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C16H20N4O5S/c1-24-15(23)7-4-8-17-16(26)19-18-13(21)9-20-11-5-2-3-6-12(11)25-10-14(20)22/h2-3,5-6H,4,7-10H2,1H3,(H,18,21)(H2,17,19,26)