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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

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