7-methoxy-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-7-methoxy-coumarin Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H22N2O3S/c1-14(2)12-24-19-7-5-4-6-18(19)23-22(24)28-13-15-10-21(25)27-20-11-16(26-3)8-9-17(15)20/h4-11,14H,12-13H2,1-3H3