2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O3S/c1-4-24(13-19(25)23-20-14(2)6-5-7-15(20)3)21(28)22-16-8-9-17-18(12-16)27-11-10-26-17/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,28)(H,23,25)