4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C21H22N4O3S/c1-12(29-20-23-14-10-9-13(28-4)11-16(14)24-20)18(26)25-17-8-6-5-7-15(17)22-19(27)21(25,2)3/h5-12H,1-4H3,(H,22,27)(H,23,24)