4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(4-methyl-2-oxo-chromen-7-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(2-keto-4-methyl-chromen-7-yl)piperazin-4-ium-1-carbothioamide Formula: C22H22ClFN3O2S+ MolecularWeight: 446.945383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O2S/c1-14-10-21(28)29-20-12-17(4-5-18(14)20)25-22(30)27-8-6-26(7-9-27)13-15-2-3-16(24)11-19(15)23/h2-5,10-12H,6-9,13H2,1H3,(H,25,30)/p+1