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

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

InChI

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