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

Systemtic Name: N-[4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]phenyl]butyramide Formula: C21H21N3O3S MolecularWeight: 395.47474

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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)N2C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H21N3O3S/c1-3-6-19(26)22-15-11-9-14(10-12-15)18(25)13-28-21-23-17-8-5-4-7-16(17)20(27)24(21)2/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,26)