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

Systemtic Name: N-[4-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]phenyl]-2-methyl-propionamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O3S/c1-17(2)25(33)29-20-11-9-19(10-12-20)24(32)16-35-27-30-23-6-4-3-5-22(23)26(34)31(27)21-13-7-18(15-28)8-14-21/h3-14,17H,16H2,1-2H3,(H,29,33)