N-[4-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]butyramide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)NC(=O)CCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)NC(=O)CCC

InChI

InChI=1S/C26H31N3O3S/c1-3-5-6-9-17-29-25(32)21-11-7-8-12-22(21)28-26(29)33-18-23(30)19-13-15-20(16-14-19)27-24(31)10-4-2/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,27,31)