N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]hexanamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C25H27N3O3S/c1-2-3-4-9-23(30)26-18-12-10-17(11-13-18)22(29)16-32-25-27-21-8-6-5-7-20(21)24(31)28(25)19-14-15-19/h5-8,10-13,19H,2-4,9,14-16H2,1H3,(H,26,30)