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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O3S/c1-13-19(27-18-10-6-5-9-17(18)26-13)21(25)24-16(11-12-28-2)20-22-14-7-3-4-8-15(14)23-20/h3-10,13,16,19H,11-12H2,1-2H3,(H,22,23)(H,24,25)/t13?,16-,19?/m0/s1