2-[3-(3-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(3-methylphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-keto-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C33H30F3N3O2S MolecularWeight: 589.67041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=CC(=C6)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=CC(=C6)C(F)(F)F

InChI

InChI=1S/C33H30F3N3O2S/c1-21-9-7-13-25(17-21)39-30(41)28-29(26-14-4-3-10-22(26)19-32(28)15-5-2-6-16-32)38-31(39)42-20-27(40)37-24-12-8-11-23(18-24)33(34,35)36/h3-4,7-14,17-18H,2,5-6,15-16,19-20H2,1H3,(H,37,40)