N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)thiocarbamoyl]-piperonylamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H13N3O3S2/c1-8-9(2)24-15(11(8)6-17)19-16(23)18-14(20)10-3-4-12-13(5-10)22-7-21-12/h3-5H,7H2,1-2H3,(H2,18,19,20,23)