4-(2-fluorophenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-fluorophenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-fluorophenyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(2-fluorophenyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-fluorophenyl)-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O2S/c1-14-12-20(26)27-19-13-15(6-7-16(14)19)23-21(28)25-10-8-24(9-11-25)18-5-3-2-4-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,23,28)