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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H22BrN5O4S2 MolecularWeight: 576.48588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C23H22BrN5O4S2/c24-16-6-11-20(33-13-12-15-4-2-1-3-5-15)19(14-16)21(30)28-23(34)27-17-7-9-18(10-8-17)35(31,32)29-22(25)26/h1-11,14H,12-13H2,(H4,25,26,29)(H2,27,28,30,34)