N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-5-6-7-10-15-28-24(30)19-11-8-9-12-20(19)27-25(28)33-17(2)23(29)26-18-13-14-21(31-3)22(16-18)32-4/h8-9,11-14,16-17H,5-7,10,15H2,1-4H3,(H,26,29)