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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,3-diisobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-N,3-bis(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-N,3-diisobutyl-4-keto-quinazoline-7-carboxamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CC(C)C

InChI

InChI=1S/C26H33N3O2S/c1-16(2)13-27-24(30)20-9-10-22-23(12-20)28-26(29(25(22)31)14-17(3)4)32-15-21-11-18(5)7-8-19(21)6/h7-12,16-17H,13-15H2,1-6H3,(H,27,30)