2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]butanamide

Systemtic Name: 2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 2-(3-butyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-N-(p-tolylmethyl)butanamide CAS Name: 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 2-[(3-butyl-4-keto-6-morpholino-quinazolin-2-yl)thio]-N-(4-methylbenzyl)butyramide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SC(CC)C(=O)NCC4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SC(CC)C(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C28H36N4O3S/c1-4-6-13-32-27(34)23-18-22(31-14-16-35-17-15-31)11-12-24(23)30-28(32)36-25(5-2)26(33)29-19-21-9-7-20(3)8-10-21/h7-12,18,25H,4-6,13-17,19H2,1-3H3,(H,29,33)