5-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C23H29BrN2O2S MolecularWeight: 477.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC=C2CC)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC=C2CC)C

InChI

InChI=1S/C23H29BrN2O2S/c1-4-6-7-8-14-28-20-13-12-18(24)15-19(20)22(27)26-23(29)25-21-16(3)10-9-11-17(21)5-2/h9-13,15H,4-8,14H2,1-3H3,(H2,25,26,27,29)