N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-piperonylamide Formula: C16H15N5O5S2 MolecularWeight: 421.4508

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C16H15N5O5S2/c17-15(18)21-28(23,24)11-4-2-10(3-5-11)19-16(27)20-14(22)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2,(H4,17,18,21)(H2,19,20,22,27)