1-[[(3S)-4-fluoranyl-3-methyl-7-oxidanylidene-2,3-dihydroinden-1-yl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[[(3S)-4-fluoranyl-3-methyl-7-oxidanylidene-2,3-dihydroinden-1-yl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[[(3S)-4-fluoro-3-methyl-7-oxo-2,3-dihydroinden-1-yl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[(3S)-4-fluoro-3-methyl-7-oxo-2,3-dihydroinden-1-yl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[(3S)-4-fluoro-3-methyl-7-oxo-2,3-dihydroinden-1-yl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[[(3S)-4-fluoro-7-keto-3-methyl-2,3-dihydroinden-1-yl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H26FN4O2S+ MolecularWeight: 381.488043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C2C1=C(C=CC2=O)F)NNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CC(=C2C1=C(C=CC2=O)F)NNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25FN4O2S/c1-12-11-14(17-15(24)4-3-13(19)16(12)17)21-22-18(26)20-5-2-6-23-7-9-25-10-8-23/h3-4,12,21H,2,5-11H2,1H3,(H2,20,22,26)/p+1/t12-/m0/s1