N-(2-cyanoethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]-N-phenyl-propionamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H26N4O3S/c1-20(26(33)31(18-8-17-29)22-9-4-3-5-10-22)36-28-30-25-12-7-6-11-24(25)27(34)32(28)19-21-13-15-23(35-2)16-14-21/h3-7,9-16,20H,8,18-19H2,1-2H3