1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H25N5O3S/c1-13(14-3-4-16-15(11-14)20-17(24)12-26-16)21-22-18(27)19-5-2-6-23-7-9-25-10-8-23/h3-4,11H,2,5-10,12H2,1H3,(H,20,24)(H2,19,22,27)/p+1/b21-13-