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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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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=C3)Cl)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C30H30ClN3O3S/c1-30(2,3)26(35)19-38-29-33-25-17-22(27(36)32-18-21-10-7-11-23(31)16-21)12-13-24(25)28(37)34(29)15-14-20-8-5-4-6-9-20/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,32,36)