N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O3S/c1-28-11-8-17(21-23-15-4-2-3-5-16(15)24-21)22-20(25)13-14-6-7-18-19(12-14)27-10-9-26-18/h2-7,12,17H,8-11,13H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1