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

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-3-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C28H32ClN3O3S MolecularWeight: 526.08998

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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)N1C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)C(=O)N1C4CCCCC4

InChI

InChI=1S/C28H32ClN3O3S/c1-28(2,3)24(33)17-36-27-31-23-15-18(25(34)30-16-19-9-7-8-12-22(19)29)13-14-21(23)26(35)32(27)20-10-5-4-6-11-20/h7-9,12-15,20H,4-6,10-11,16-17H2,1-3H3,(H,30,34)