methyl 6-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-26-17(25)9-3-2-6-10-19-18(28)21-20-15(23)11-22-13-7-4-5-8-14(13)27-12-16(22)24/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,20,23)(H2,19,21,28)