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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-methoxyphenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-4-keto-3-(3-methoxyphenyl)-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=C(C=CC(=C3)C)C)C4=CC(=CC=C4)OC

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)OC

InChI

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