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

Systemtic Name: N-tert-butyl-2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-tert-butyl-2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-tert-butyl-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-tert-butyl-2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-14(19(27)25-22(2,3)4)29-21-24-18-12-8-6-10-16(18)20(28)26(21)13-15-9-5-7-11-17(15)23/h5-12,14H,13H2,1-4H3,(H,25,27)