N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methyl-phenyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2,6-dichloro-3-methylphenyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2,6-dichloro-3-methyl-phenyl)acetamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3Cl)C)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3Cl)C)Cl

InChI

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