N-[4-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]phenyl]methanesulfonamide Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H22ClN3O5S2/c1-30-11-3-10-25-20(27)17-9-6-15(22)12-18(17)23-21(25)31-13-19(26)14-4-7-16(8-5-14)24-32(2,28)29/h4-9,12,24H,3,10-11,13H2,1-2H3