2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-keto-ethyl]thio]cinchoninamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N

InChI

InChI=1S/C23H23N3O4S/c1-2-26(12-15-13-29-19-9-5-6-10-20(19)30-15)22(27)14-31-21-11-17(23(24)28)16-7-3-4-8-18(16)25-21/h3-11,15H,2,12-14H2,1H3,(H2,24,28)/t15-/m0/s1