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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O4S2/c1-2-24(20(26)13-29-21-23-15-5-3-4-6-18(15)30-21)12-19(25)22-14-7-8-16-17(11-14)28-10-9-27-16/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,25)