N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N3O2S/c1-14-11-20(29)30-19-13-16(5-6-18(14)19)26-21(31)28-9-7-27(8-10-28)17-4-2-3-15(12-17)22(23,24)25/h2-6,11-13H,7-10H2,1H3,(H,26,31)