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

Systemtic Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-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)NC3=CC(=CC=C3)Cl)C(=O)N1CCC4=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)N1CCC4=CC=CC=C4

InChI

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