N-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-methoxy-benzamide CAS Name: N-[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4-methoxybenzamide Traditional Name: N-[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]-4-methoxy-benzamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22ClN3O4S/c1-13(2)11-26-21(29)17-10-15(23)6-9-18(17)24-22(26)31-12-19(27)25-20(28)14-4-7-16(30-3)8-5-14/h4-10,13H,11-12H2,1-3H3,(H,25,27,28)