2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C33H31N3O2S MolecularWeight: 533.68314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C33H31N3O2S/c1-24-19-25(2)21-28(20-24)36-32(38)29-15-9-10-16-30(29)34-33(36)39-23-31(37)35(22-27-13-7-4-8-14-27)18-17-26-11-5-3-6-12-26/h3-16,19-21H,17-18,22-23H2,1-2H3