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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,3-diisobutyl-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-methylphenyl)methylthio]-N,3-bis(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N,3-diisobutyl-4-keto-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-16(2)13-26-23(29)20-9-10-21-22(12-20)27-25(28(24(21)30)14-17(3)4)31-15-19-8-6-7-18(5)11-19/h6-12,16-17H,13-15H2,1-5H3,(H,26,29)