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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-5-bromanyl-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-isopropoxy-benzamide Formula: C18H20BrN5O4S2 MolecularWeight: 514.4165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=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)OC1=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/C18H20BrN5O4S2/c1-10(2)28-15-8-3-11(19)9-14(15)16(25)23-18(29)22-12-4-6-13(7-5-12)30(26,27)24-17(20)21/h3-10H,1-2H3,(H4,20,21,24)(H2,22,23,25,29)