2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-phenylazophenyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(4-phenyldiazenylphenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(4-phenylazophenyl)acetamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O2S/c1-2-3-4-10-19-33-27(35)24-13-8-9-14-25(24)30-28(33)36-20-26(34)29-21-15-17-23(18-16-21)32-31-22-11-6-5-7-12-22/h5-9,11-18H,2-4,10,19-20H2,1H3,(H,29,34)