N1,N4-bis(2-cyanoethanoylcarbamothioyl)benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(2-cyanoethanoylcarbamothioyl)benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[(2-cyanoacetyl)carbamothioyl]terephthalamide CAS Name: N1,N4-bis[[(2-cyano-1-oxoethyl)amino]-sulfanylidenemethyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[(2-cyanoacetyl)carbamothioyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[(2-cyanoacetyl)thiocarbamoyl]terephthalamide Formula: C16H12N6O4S2 MolecularWeight: 416.43428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC(=O)CC#N)C(=O)NC(=S)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC(=O)CC#N)C(=O)NC(=S)NC(=O)CC#N

InChI

InChI=1S/C16H12N6O4S2/c17-7-5-11(23)19-15(27)21-13(25)9-1-2-10(4-3-9)14(26)22-16(28)20-12(24)6-8-18/h1-4H,5-6H2,(H2,19,21,23,25,27)(H2,20,22,24,26,28)