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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-phenyl-propionamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2S/c1-3-21-14-16-23(17-15-21)32-27(34)24-12-7-8-13-25(24)30-28(32)35-20(2)26(33)31(19-9-18-29)22-10-5-4-6-11-22/h4-8,10-17,20H,3,9,19H2,1-2H3