N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5S2/c1-26-13-8-3-10(9-14(13)27-2)15(23)21-17(28)20-11-4-6-12(7-5-11)29(24,25)22-16(18)19/h3-9H,1-2H3,(H4,18,19,22)(H2,20,21,23,28)