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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-guanidinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C17H18BrN5O4S2 MolecularWeight: 500.38992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

Isomeric SMILES

CCOC1=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/C17H18BrN5O4S2/c1-2-27-14-8-3-10(9-13(14)18)15(24)22-17(28)21-11-4-6-12(7-5-11)29(25,26)23-16(19)20/h3-9H,2H2,1H3,(H4,19,20,23)(H2,21,22,24,28)