N-[[(3Z)-2,4-bis(azanylidene)-5-cyano-6-oxidanylidene-3-(phenylmethylidene)piperidin-1-yl]carbamothioyl]benzamide

Systemtic Name: N-[[(3Z)-2,4-bis(azanylidene)-5-cyano-6-oxidanylidene-3-(phenylmethylidene)piperidin-1-yl]carbamothioyl]benzamide Openeye Name: N-[[(3Z)-3-benzylidene-5-cyano-2,4-diimino-6-oxo-1-piperidyl]carbamothioyl]benzamide CAS Name: N-[[[(3Z)-5-cyano-2,4-diimino-6-oxo-3-(phenylmethylene)-1-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(3Z)-3-benzylidene-5-cyano-2,4-diimino-6-oxopiperidin-1-yl]carbamothioyl]benzamide Traditional Name: N-[[(3Z)-3-benzal-5-cyano-2,4-diimino-6-keto-piperidino]thiocarbamoyl]benzamide Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=N)C(C(=O)N(C2=N)NC(=S)NC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)/C=C\2/C(=N)C(C(=O)N(C2=N)NC(=S)NC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N6O2S/c22-12-16-17(23)15(11-13-7-3-1-4-8-13)18(24)27(20(16)29)26-21(30)25-19(28)14-9-5-2-6-10-14/h1-11,16,23-24H,(H2,25,26,28,30)/b15-11-,23-17?,24-18?