N-(3-chloranyl-2-methyl-phenyl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]butyramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)SC2=NC3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)SC2=NC3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C21H22ClN3O2S/c1-4-18(19(26)23-16-12-8-10-15(22)13(16)3)28-21-24-17-11-7-6-9-14(17)20(27)25(21)5-2/h6-12,18H,4-5H2,1-3H3,(H,23,26)