4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-butanamide

Systemtic Name: 4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-butanamide Openeye Name: 4-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-butanamide CAS Name: 4-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-propylbutanamide IUPAC Name: 4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylbutanamide Traditional Name: 4-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-propyl-butyramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCNC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-2-12-23-19(26)11-6-13-28-21-24-18-10-4-3-9-17(18)20(27)25(21)16-8-5-7-15(22)14-16/h3-5,7-10,14H,2,6,11-13H2,1H3,(H,23,26)