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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2,5-dimethylbenzyl)thio]-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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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)N2CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O2S/c1-19(2)16-30-27(33)23-12-13-25-26(15-23)31-29(35-18-24-14-20(3)10-11-21(24)4)32(28(25)34)17-22-8-6-5-7-9-22/h5-15,19H,16-18H2,1-4H3,(H,30,33)