2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(piperonylthiocarbamoylamino)acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-12-6-13(2)19(14(3)7-12)23-18(24)10-22-20(27)21-9-15-4-5-16-17(8-15)26-11-25-16/h4-8H,9-11H2,1-3H3,(H,23,24)(H2,21,22,27)