N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C23H23N5O5S2 MolecularWeight: 513.58922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C23H23N5O5S2/c24-22(25)28-35(30,31)18-12-10-16(11-13-18)26-23(34)27-21(29)19-8-4-5-9-20(19)33-15-14-32-17-6-2-1-3-7-17/h1-13H,14-15H2,(H4,24,25,28)(H2,26,27,29,34)