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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isopropyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isopropyl-4-keto-2-(m-anisylthio)quinazoline-7-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C28H29N3O3S/c1-17(2)29-26(32)21-9-10-24-25(15-21)30-28(35-16-20-7-6-8-23(14-20)34-5)31(27(24)33)22-12-18(3)11-19(4)13-22/h6-15,17H,16H2,1-5H3,(H,29,32)