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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylpropanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-13(19(26)23-15-10-11-15)28-21-24-18-9-5-3-7-16(18)20(27)25(21)12-14-6-2-4-8-17(14)22/h2-9,13,15H,10-12H2,1H3,(H,23,26)