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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-28(2,3)24(32)18-35-27-30-23-16-20(25(33)29-17-19-10-6-4-7-11-19)14-15-22(23)26(34)31(27)21-12-8-5-9-13-21/h4-16H,17-18H2,1-3H3,(H,29,33)