3-bromanyl-4-hexoxy-N-(1-phenylethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(1-phenylethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(1-phenylethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(1-phenylethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(1-phenylethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(1-phenylethylthiocarbamoyl)benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2S/c1-3-4-5-9-14-27-20-13-12-18(15-19(20)23)21(26)25-22(28)24-16(2)17-10-7-6-8-11-17/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H2,24,25,26,28)