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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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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)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O3S/c1-2-3-10-28-17-9-6-14(12-16(17)21)19(27)23-20(29)25-24-18(26)11-13-4-7-15(22)8-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,24,26)(H2,23,25,27,29)