2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-chloro-2-methyl-phenyl)carbamothioyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[(3-chloro-2-methylphenyl)carbamothioyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C20H22ClN3O3S/c1-3-24(20(28)23-16-6-4-5-15(21)13(16)2)12-19(25)22-14-7-8-17-18(11-14)27-10-9-26-17/h4-8,11H,3,9-10,12H2,1-2H3,(H,22,25)(H,23,28)