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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-3-4-5-6-13-31-20-12-9-17(15-19(20)24)22(29)25-23(32)27-26-21(28)14-16-7-10-18(30-2)11-8-16/h7-12,15H,3-6,13-14H2,1-2H3,(H,26,28)(H2,25,27,29,32)