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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(2-chlorobenzyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O3S/c1-29(2,3)25(34)18-37-28-32-24-15-20(26(35)31-16-21-11-7-8-12-23(21)30)13-14-22(24)27(36)33(28)17-19-9-5-4-6-10-19/h4-15H,16-18H2,1-3H3,(H,31,35)