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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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