N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]benzothiophene-2-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-methyl-2-imidazolyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]benzothiophene-2-carboxamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(CC2COC3=CC=CC=C3O2)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CN1C=CN=C1CN(C[C@H]2COC3=CC=CC=C3O2)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O3S/c1-25-11-10-24-22(25)14-26(13-17-15-28-18-7-3-4-8-19(18)29-17)23(27)21-12-16-6-2-5-9-20(16)30-21/h2-12,17H,13-15H2,1H3/t17-/m0/s1