2-(9-methyl-4-oxidanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(9-methyl-4-oxidanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(9-methyl-4-oxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(9-methyl-4-oxo-2-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N-phenethylacetamide IUPAC Name: 2-(9-methyl-4-oxospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-keto-9-methyl-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-phenethyl-acetamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC3(CCCCC3)C4=C2NC(=NC4=O)SCC(=O)NCCC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CC2=C(CC3(CCCCC3)C4=C2NC(=NC4=O)SCC(=O)NCCC5=CC=CC=C5)C=C1

InChI

InChI=1S/C28H31N3O2S/c1-19-10-11-21-17-28(13-6-3-7-14-28)24-25(22(21)16-19)30-27(31-26(24)33)34-18-23(32)29-15-12-20-8-4-2-5-9-20/h2,4-5,8-11,16H,3,6-7,12-15,17-18H2,1H3,(H,29,32)(H,30,31,33)