N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C20H24BrN5O4S2 MolecularWeight: 542.46966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN5O4S2/c1-12(2)9-10-30-17-8-3-13(21)11-16(17)18(27)25-20(31)24-14-4-6-15(7-5-14)32(28,29)26-19(22)23/h3-8,11-12H,9-10H2,1-2H3,(H4,22,23,26)(H2,24,25,27,31)