3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-ethyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-ethyl-propionamide 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)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

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