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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-isobutyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-N-isobutyl-4-keto-3-phenethyl-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)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O2S/c1-20(2)18-31-28(34)24-12-13-26-27(17-24)32-30(36-19-25-16-21(3)10-11-22(25)4)33(29(26)35)15-14-23-8-6-5-7-9-23/h5-13,16-17,20H,14-15,18-19H2,1-4H3,(H,31,34)