N-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-(4-methyl-1-piperazinyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-methylpiperazino)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C20H22F3N5OS MolecularWeight: 437.48179

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)CSC2=NC3=C(CCC4=CC=CC=C43)C(=N2)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)NC(=O)CSC2=NC3=C(CCC4=CC=CC=C43)C(=N2)C(F)(F)F

InChI

InChI=1S/C20H22F3N5OS/c1-27-8-10-28(11-9-27)26-16(29)12-30-19-24-17-14-5-3-2-4-13(14)6-7-15(17)18(25-19)20(21,22)23/h2-5H,6-12H2,1H3,(H,26,29)