2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(piperonylthiocarbamoylamino)acetamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21N3O3S/c1-12-4-3-5-13(2)18(12)22-17(23)10-21-19(26)20-9-14-6-7-15-16(8-14)25-11-24-15/h3-8H,9-11H2,1-2H3,(H,22,23)(H2,20,21,26)