2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C(C)(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C(C)(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H29N3O3S/c1-18-13-19(2)15-21(14-18)30-26(34)20-11-12-23-24(16-20)31-28(36-17-25(33)29(3,4)5)32(27(23)35)22-9-7-6-8-10-22/h6-16H,17H2,1-5H3,(H,30,34)