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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C30H33N3O2S MolecularWeight: 499.66692

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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)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C30H33N3O2S/c1-18(2)16-31-28(34)23-9-10-26-27(15-23)32-30(36-17-24-12-19(3)7-8-22(24)6)33(29(26)35)25-13-20(4)11-21(5)14-25/h7-15,18H,16-17H2,1-6H3,(H,31,34)