2-cyano-4-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 2-cyano-4-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-cyano-4-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanamide CAS Name: 2-cyano-4-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-3-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-cyano-4-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-oxobutanamide Traditional Name: N-benzyl-2-cyano-4-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyramide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O3S/c1-2-3-4-10-15-30-25(33)20-13-8-9-14-22(20)29-26(30)34-18-23(31)21(16-27)24(32)28-17-19-11-6-5-7-12-19/h5-9,11-14,21H,2-4,10,15,17-18H2,1H3,(H,28,32)