N-(1,3-benzodioxol-5-yl)-2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-butyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-butyl-4-keto-6-morpholino-quinazolin-2-yl)thio]butyramide Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SC(CC)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SC(CC)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H32N4O5S/c1-3-5-10-31-26(33)20-16-19(30-11-13-34-14-12-30)7-8-21(20)29-27(31)37-24(4-2)25(32)28-18-6-9-22-23(15-18)36-17-35-22/h6-9,15-16,24H,3-5,10-14,17H2,1-2H3,(H,28,32)