1-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[1-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[1-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[1-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[1-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H26FN4O2S+ MolecularWeight: 369.477343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C=CC1=O)F)NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCC(=C1C=C(C=CC1=O)F)NNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H25FN4O2S/c1-2-15(14-12-13(18)4-5-16(14)23)20-21-17(25)19-6-3-7-22-8-10-24-11-9-22/h4-5,12,20H,2-3,6-11H2,1H3,(H2,19,21,25)/p+1