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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

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