3,3-dimethyl-4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]-1H-quinoxalin-2-one Openeye Name: 4-[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]-1H-quinoxalin-2-one Traditional Name: 4-[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CC=C)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CC=C)C

InChI

InChI=1S/C22H22N4O2S/c1-4-13-25-17-11-7-5-9-15(17)24-21(25)29-14-19(27)26-18-12-8-6-10-16(18)23-20(28)22(26,2)3/h4-12H,1,13-14H2,2-3H3,(H,23,28)