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

Systemtic Name: 3-bromanyl-N-[ethyl(phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[ethyl(phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(N-ethylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[ethyl(phenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[ethyl(phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2S/c1-3-5-6-10-15-27-20-14-13-17(16-19(20)23)21(26)24-22(28)25(4-2)18-11-8-7-9-12-18/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,24,26,28)