5-bromanyl-N-(dipropylcarbamothioyl)-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(dipropylcarbamothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(dipropylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(dipropylamino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(dipropylcarbamothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(dipropylthiocarbamoyl)-2-phenethyloxy-benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCCN(CCC)C(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H27BrN2O2S/c1-3-13-25(14-4-2)22(28)24-21(26)19-16-18(23)10-11-20(19)27-15-12-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H,24,26,28)