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

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

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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=C3)OC)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)C4=CC(=CC(=C4)C)C

InChI

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