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

Systemtic Name: 3-bromanyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-4-16-5-8-18(9-6-16)31-14-21(28)26-27-23(32)25-22(29)17-7-10-20(19(24)13-17)30-12-11-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,26,28)(H2,25,27,29,32)