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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-propanamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-isopropyl-propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)23-19(26)14(3)28-21-24-18-11-7-5-9-16(18)20(27)25(21)12-15-8-4-6-10-17(15)22/h4-11,13-14H,12H2,1-3H3,(H,23,26)