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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-N-(3,5-dimethylphenyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-(3,5-dimethylphenyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C31H33N3O3S MolecularWeight: 527.67702

Click to see the large picture

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)CCC4=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)CCC4=CC=CC=C4)C

InChI

InChI=1S/C31H33N3O3S/c1-20-15-21(2)17-24(16-20)32-28(36)23-11-12-25-26(18-23)33-30(38-19-27(35)31(3,4)5)34(29(25)37)14-13-22-9-7-6-8-10-22/h6-12,15-18H,13-14,19H2,1-5H3,(H,32,36)