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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3,4-dimethoxyphenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C30H31N3O5S MolecularWeight: 545.64924

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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)N1CC4=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)N1CC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5S/c1-30(2,3)26(34)18-39-29-32-23-15-20(27(35)31-21-12-14-24(37-4)25(16-21)38-5)11-13-22(23)28(36)33(29)17-19-9-7-6-8-10-19/h6-16H,17-18H2,1-5H3,(H,31,35)