[7-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-3,4-dihydro-2H-chromen-6-yl] ethanoate

Systemtic Name: [7-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-3,4-dihydro-2H-chromen-6-yl] ethanoate Openeye Name: [7-tert-butyl-2-[4-(4-fluorophenyl)piperazine-1-carbothioyl]chroman-6-yl] acetate CAS Name: acetic acid [7-tert-butyl-2-[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [7-tert-butyl-2-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-3,4-dihydro-2H-chromen-6-yl] acetate Traditional Name: acetic acid [7-tert-butyl-2-[4-(4-fluorophenyl)piperazine-1-carbothioyl]chroman-6-yl] ester Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)CCC(O2)C(=S)N3CCN(CC3)C4=CC=C(C=C4)F)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)CCC(O2)C(=S)N3CCN(CC3)C4=CC=C(C=C4)F)C(C)(C)C

InChI

InChI=1S/C26H31FN2O3S/c1-17(30)31-24-15-18-5-10-22(32-23(18)16-21(24)26(2,3)4)25(33)29-13-11-28(12-14-29)20-8-6-19(27)7-9-20/h6-9,15-16,22H,5,10-14H2,1-4H3