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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

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