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

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-14(2)11-12-28-17-7-3-15(4-8-17)20(27)23-21(30)25-24-19(26)13-29-18-9-5-16(22)6-10-18/h3-10,14H,11-13H2,1-2H3,(H,24,26)(H2,23,25,27,30)