2-[1,3-benzodioxol-5-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylcarbamothioyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-ylthiocarbamoyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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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)OCO3

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23N3O3S/c1-4-23(11-18(24)22-19-13(2)6-5-7-14(19)3)20(27)21-15-8-9-16-17(10-15)26-12-25-16/h5-10H,4,11-12H2,1-3H3,(H,21,27)(H,22,24)