N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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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)N2C4CC4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C23H22N4O2S/c1-16(21(28)26(15-7-14-24)17-8-3-2-4-9-17)30-23-25-20-11-6-5-10-19(20)22(29)27(23)18-12-13-18/h2-6,8-11,16,18H,7,12-13,15H2,1H3