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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-(2-chlorobenzyl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C27H32ClN3O3S MolecularWeight: 514.07928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C27H32ClN3O3S/c1-5-6-9-14-31-25(34)20-13-12-18(24(33)29-16-19-10-7-8-11-21(19)28)15-22(20)30-26(31)35-17-23(32)27(2,3)4/h7-8,10-13,15H,5-6,9,14,16-17H2,1-4H3,(H,29,33)