3-bromanyl-N-[[2-(4-chloranylphenoxy)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-chloranylphenoxy)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[[2-(4-chlorophenoxy)acetyl]amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H23BrClN3O4S MolecularWeight: 528.84702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C21H23BrClN3O4S/c1-13(2)9-10-29-18-8-3-14(11-17(18)22)20(28)24-21(31)26-25-19(27)12-30-16-6-4-15(23)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,27)(H2,24,26,28,31)