N-[1-(2-chlorophenyl)ethyl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(2-chlorophenyl)ethyl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(2-chlorophenyl)ethyl]-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[1-(2-chlorophenyl)ethyl]-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[1-(2-chlorophenyl)ethyl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[1-(2-chlorophenyl)ethyl]-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC(C)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC(C)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-12-8-9-17-15(10-12)19(26)24(3)20(23-17)27-11-18(25)22-13(2)14-6-4-5-7-16(14)21/h4-10,13H,11H2,1-3H3,(H,22,25)