N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-6-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-6-chloranyl-pyridine-3-carboxamide Openeye Name: 6-chloro-N-[(4-guanidinosulfonylphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]nicotinamide Formula: C14H13ClN6O3S2 MolecularWeight: 412.87442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C14H13ClN6O3S2/c15-11-6-1-8(7-18-11)12(22)20-14(25)19-9-2-4-10(5-3-9)26(23,24)21-13(16)17/h1-7H,(H4,16,17,21)(H2,19,20,22,25)