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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2C4=CC(=CC(=C4)C)C

InChI

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