N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[(2-bromophenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[(2-bromobenzoyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[(2-bromobenzoyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[(2-bromobenzoyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H24BrN3O3S/c1-2-3-4-7-14-28-16-12-10-15(11-13-16)19(26)23-21(29)25-24-20(27)17-8-5-6-9-18(17)22/h5-6,8-13H,2-4,7,14H2,1H3,(H,24,27)(H2,23,25,26,29)