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

Systemtic Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3-chlorophenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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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(=CC=C3)Cl)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C28H26ClN3O3S/c1-28(2,3)24(33)17-36-27-31-23-14-19(25(34)30-21-11-7-10-20(29)15-21)12-13-22(23)26(35)32(27)16-18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,30,34)