3-bromanyl-N-(butan-2-ylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-(butan-2-ylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-4-hexoxy-N-(sec-butylcarbamothioyl)benzamide CAS Name: 3-bromo-N-[(butan-2-ylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(butan-2-ylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-4-hexoxy-N-(sec-butylthiocarbamoyl)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)NC(C)CC)Br

Isomeric SMILES

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

InChI

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