3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-(o-tolylmethylsulfanyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-4-keto-2-[(2-methylbenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3C)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3C)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H29N3O2S/c1-5-12-29-26(32)21-10-11-24-25(16-21)30-28(34-17-22-9-7-6-8-20(22)4)31(27(24)33)23-14-18(2)13-19(3)15-23/h6-11,13-16H,5,12,17H2,1-4H3,(H,29,32)