1-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[[1-[(2-chloro-4-fluoro-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[[[1-[(2-chloro-4-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[[1-(2-chloro-4-fluoro-benzyl)piperidin-1-ium-4-carbonyl]amino]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C24H25ClFN4O3S+ MolecularWeight: 503.996703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NNC(=O)C3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NNC(=O)C3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C24H24ClFN4O3S/c1-14-10-22(31)33-21-12-18(4-5-19(14)21)27-24(34)29-28-23(32)15-6-8-30(9-7-15)13-16-2-3-17(26)11-20(16)25/h2-5,10-12,15H,6-9,13H2,1H3,(H,28,32)(H2,27,29,34)/p+1