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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C27H23ClN4O2S MolecularWeight: 503.01512

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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=CC=C4Cl

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C27H23ClN4O2S/c1-19(25(33)31(17-9-16-29)21-11-3-2-4-12-21)35-27-30-24-15-8-6-13-22(24)26(34)32(27)18-20-10-5-7-14-23(20)28/h2-8,10-15,19H,9,17-18H2,1H3