7-chloranyl-N-[(2-cyanoethanoylamino)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide

Systemtic Name: 7-chloranyl-N-[(2-cyanoethanoylamino)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Openeye Name: 7-chloro-N-[[(2-cyanoacetyl)amino]carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide CAS Name: 7-chloro-N-[[(2-cyano-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-6-thieno[2,3-f][1,3]benzodioxolecarboxamide IUPAC Name: 7-chloro-N-[[(2-cyanoacetyl)amino]carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Traditional Name: 7-chloro-N-[[(2-cyanoacetyl)amino]thiocarbamoyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Formula: C14H9ClN4O4S2 MolecularWeight: 396.82866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=C(S3)C(=O)NC(=S)NNC(=O)CC#N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=C(S3)C(=O)NC(=S)NNC(=O)CC#N)Cl

InChI

InChI=1S/C14H9ClN4O4S2/c15-11-6-3-7-8(23-5-22-7)4-9(6)25-12(11)13(21)17-14(24)19-18-10(20)1-2-16/h3-4H,1,5H2,(H,18,20)(H2,17,19,21,24)