3-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H31BrN2O4S MolecularWeight: 523.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOCC)Br

InChI

InChI=1S/C24H31BrN2O4S/c1-3-5-6-7-13-31-22-12-11-18(16-21(22)25)23(28)27-24(32)26-19-9-8-10-20(17-19)30-15-14-29-4-2/h8-12,16-17H,3-7,13-15H2,1-2H3,(H2,26,27,28,32)