2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(3-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-(piperonylthiocarbamoylamino)acetamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18ClN3O3S/c1-11-13(19)3-2-4-14(11)22-17(23)9-21-18(26)20-8-12-5-6-15-16(7-12)25-10-24-15/h2-7H,8-10H2,1H3,(H,22,23)(H2,20,21,26)