2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-methyl-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-methyl-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N-methyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N-methyl-4-oxo-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-methyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-N-methyl-3-phenethyl-quinazoline-7-carboxamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O3S/c1-31(2,3)27(35)21-38-30-32-26-19-24(28(36)33(4)20-23-13-9-6-10-14-23)15-16-25(26)29(37)34(30)18-17-22-11-7-5-8-12-22/h5-16,19H,17-18,20-21H2,1-4H3