4-[2-[3-(4-chloranylphenoxy)propylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[3-(4-chloranylphenoxy)propylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[3-(4-chlorophenoxy)propylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[3-(4-chlorophenoxy)propylthio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[3-(4-chlorophenoxy)propylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[3-(4-chlorophenoxy)propylthio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCCCOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCCCOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H23ClN2O3S/c1-21(2)20(26)23-17-6-3-4-7-18(17)24(21)19(25)14-28-13-5-12-27-16-10-8-15(22)9-11-16/h3-4,6-11H,5,12-14H2,1-2H3,(H,23,26)