N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H26BrN5O4S2 MolecularWeight: 556.49624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

InChI

InChI=1S/C21H26BrN5O4S2/c1-2-3-4-5-12-31-18-11-6-14(13-17(18)22)19(28)26-21(32)25-15-7-9-16(10-8-15)33(29,30)27-20(23)24/h6-11,13H,2-5,12H2,1H3,(H4,23,24,27)(H2,25,26,28,32)