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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3,5-dimethylphenyl)-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O2S/c1-6-11-30-27(33)22-9-10-25-26(16-22)31-29(35-17-23-13-18(2)7-8-21(23)5)32(28(25)34)24-14-19(3)12-20(4)15-24/h7-10,12-16H,6,11,17H2,1-5H3,(H,30,33)