N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-keto-isochroman-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H21N3O3S/c1-28-11-10-17(19-22-15-8-4-5-9-16(15)23-19)24-20(25)18-12-13-6-2-3-7-14(13)21(26)27-18/h2-9,17-18H,10-12H2,1H3,(H,22,23)(H,24,25)