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

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

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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)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

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