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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-bromanyl-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C19H22BrN5O4S2 MolecularWeight: 528.44308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

Isomeric SMILES

CC(C)COC1=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/c1-11(2)10-29-16-8-3-12(9-15(16)20)17(26)24-19(30)23-13-4-6-14(7-5-13)31(27,28)25-18(21)22/h3-9,11H,10H2,1-2H3,(H4,21,22,25)(H2,23,24,26,30)