ethyl N-[2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetyl]carbamic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C(C)C

InChI

InChI=1S/C22H22ClN3O4S/c1-4-30-22(29)25-19(27)12-31-21-24-17-11-14(23)9-10-16(17)20(28)26(21)18-8-6-5-7-15(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,25,27,29)