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

Systemtic Name: N-(3-chlorophenyl)-3-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-3-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-3-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-3-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-3-cyclohexyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C27H30ClN3O3S MolecularWeight: 512.0634

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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)N1C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N1C4CCCCC4

InChI

InChI=1S/C27H30ClN3O3S/c1-27(2,3)23(32)16-35-26-30-22-14-17(24(33)29-19-9-7-8-18(28)15-19)12-13-21(22)25(34)31(26)20-10-5-4-6-11-20/h7-9,12-15,20H,4-6,10-11,16H2,1-3H3,(H,29,33)