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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O2S/c1-18-12-13-21(16-19(18)2)29-25(31)22-10-6-7-11-23(22)28-26(29)32-17-24(30)27-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)