N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-methylacetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-methyl-acetamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C20H21N3O4S/c1-23(10-14-11-26-17-5-3-4-6-18(17)27-14)19(24)12-28-20-21-15-8-7-13(25-2)9-16(15)22-20/h3-9,14H,10-12H2,1-2H3,(H,21,22)/t14-/m0/s1