N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-(2-methoxyethoxy)benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C18H20BrN5O5S2 MolecularWeight: 530.4159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

Isomeric SMILES

COCCOC1=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/C18H20BrN5O5S2/c1-28-8-9-29-15-7-2-11(10-14(15)19)16(25)23-18(30)22-12-3-5-13(6-4-12)31(26,27)24-17(20)21/h2-7,10H,8-9H2,1H3,(H4,20,21,24)(H2,22,23,25,30)