methyl 6-[[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C18H24N4O4S/c1-12(13-7-8-15-14(10-13)20-16(23)11-26-15)21-22-18(27)19-9-5-3-4-6-17(24)25-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,23)(H2,19,22,27)/b21-12-