2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl N-(4-chlorophenyl)carbamate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl N-(4-chlorophenyl)carbamate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)NC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)NC3=CC=C(C=C3)Cl)C)C

InChI

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