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

Systemtic Name: 2-[3-(3-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(m-tolyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-methylphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(3-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-keto-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]thio]acetamide Formula: C32H31N3O2S MolecularWeight: 521.67244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)NCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C32H31N3O2S/c1-22-10-9-14-25(18-22)35-30(37)28-29(26-15-6-5-13-24(26)19-32(28)16-7-8-17-32)34-31(35)38-21-27(36)33-20-23-11-3-2-4-12-23/h2-6,9-15,18H,7-8,16-17,19-21H2,1H3,(H,33,36)