N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O3S/c1-27-11-10-15(19-21-13-6-2-3-7-14(13)22-19)23-20(24)18-12-25-16-8-4-5-9-17(16)26-18/h2-9,15,18H,10-12H2,1H3,(H,21,22)(H,23,24)/t15-,18?/m0/s1