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

Systemtic Name: 3-methyl-N-[4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c1-18(2)16-25(32)28-20-14-12-19(13-15-20)24(31)17-34-27-29-23-11-7-6-10-22(23)26(33)30(27)21-8-4-3-5-9-21/h3-15,18H,16-17H2,1-2H3,(H,28,32)