N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C16H16BrN5O4S2 MolecularWeight: 486.36334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C16H16BrN5O4S2/c1-26-13-7-2-9(17)8-12(13)14(23)21-16(27)20-10-3-5-11(6-4-10)28(24,25)22-15(18)19/h2-8H,1H3,(H4,18,19,22)(H2,20,21,23,27)