N-[3,5-bis(chloranyl)phenyl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dichlorophenyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(3,5-dichlorophenyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,5-dichlorophenyl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(3,5-dichlorophenyl)propionamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-3-4-9-26-20(28)17-7-5-6-8-18(17)25-21(26)29-13(2)19(27)24-16-11-14(22)10-15(23)12-16/h5-8,10-13H,3-4,9H2,1-2H3,(H,24,27)