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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-isobutyl-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-isobutyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-19(2)16-29-26(32)23-13-14-24-25(15-23)30-28(34-18-22-11-9-20(3)10-12-22)31(27(24)33)17-21-7-5-4-6-8-21/h4-15,19H,16-18H2,1-3H3,(H,29,32)