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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-3-4-11-29-18-10-7-15(13-17(18)22)20(27)23-21(30)25-24-19(26)12-14-5-8-16(28-2)9-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,26)(H2,23,25,27,30)