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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O5S/c1-31(2,3)27(35)19-40-30-33-24-17-21(28(36)32-22-12-14-25(38-4)26(18-22)39-5)11-13-23(24)29(37)34(30)16-15-20-9-7-6-8-10-20/h6-14,17-18H,15-16,19H2,1-5H3,(H,32,36)