3-bromanyl-N-(butylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-(butylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-N-(butylcarbamothioyl)-4-hexoxy-benzamide CAS Name: 3-bromo-N-[butylamino(sulfanylidene)methyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(butylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-N-(butylthiocarbamoyl)-4-hexoxy-benzamide Formula: C18H27BrN2O2S MolecularWeight: 415.38818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCCC)Br

InChI

InChI=1S/C18H27BrN2O2S/c1-3-5-7-8-12-23-16-10-9-14(13-15(16)19)17(22)21-18(24)20-11-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H2,20,21,22,24)