2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O4S2/c1-2-25(12-20(26)23-15-7-8-17-18(11-15)29-10-9-28-17)22(27)14-30-13-21-24-16-5-3-4-6-19(16)31-21/h3-8,11H,2,9-10,12-14H2,1H3,(H,23,26)