4-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(1-isopentylbenzimidazol-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(1-isoamylbenzimidazol-2-yl)thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2S/c1-15(2)12-13-26-19-10-6-5-9-18(19)25-23(26)30-16(3)22(29)27-14-21(28)24-17-8-4-7-11-20(17)27/h4-11,15-16H,12-14H2,1-3H3,(H,24,28)