2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: 2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-propanamide CAS Name: 2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide Traditional Name: 2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-isopropyl-propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-12(2)23-19(26)14(4)28-21-24-17-11-15(22)9-10-16(17)20(27)25(21)18-8-6-5-7-13(18)3/h5-12,14H,1-4H3,(H,23,26)