N-(3,4-dimethylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C28H23N3OS MolecularWeight: 449.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C28H23N3OS/c1-18-12-14-22(16-19(18)2)29-25(32)17-33-28-24-15-13-20-8-6-7-11-23(20)26(24)30-27(31-28)21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,29,32)