2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-pentyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-benzyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C27H33N3O3S/c1-5-6-10-15-30-25(33)21-14-13-20(24(32)28-17-19-11-8-7-9-12-19)16-22(21)29-26(30)34-18-23(31)27(2,3)4/h7-9,11-14,16H,5-6,10,15,17-18H2,1-4H3,(H,28,32)