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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-guanidinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C19H22BrN5O4S2 MolecularWeight: 528.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

Isomeric SMILES

CCCCOC1=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/C19H22BrN5O4S2/c1-2-3-10-29-16-9-4-12(11-15(16)20)17(26)24-19(30)23-13-5-7-14(8-6-13)31(27,28)25-18(21)22/h4-9,11H,2-3,10H2,1H3,(H4,21,22,25)(H2,23,24,26,30)