3-bromanyl-4-butoxy-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C21H24BrN3O5S/c1-3-4-11-29-18-10-5-14(12-17(18)22)20(27)23-21(31)25-24-19(26)13-30-16-8-6-15(28-2)7-9-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,26)(H2,23,25,27,31)