N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-oxomethyl]-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)NC(=O)NC[C@H]2COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-26-17(15-7-3-2-4-8-15)12-24-22(26)31-14-20(27)25-21(28)23-11-16-13-29-18-9-5-6-10-19(18)30-16/h2-10,12,16H,11,13-14H2,1H3,(H2,23,25,27,28)/t16-/m0/s1