N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]octanamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]octanamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]octanamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]caprylamide Formula: C16H25N5O3S2 MolecularWeight: 399.5314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C16H25N5O3S2/c1-2-3-4-5-6-7-14(22)20-16(25)19-12-8-10-13(11-9-12)26(23,24)21-15(17)18/h8-11H,2-7H2,1H3,(H4,17,18,21)(H2,19,20,22,25)