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

Systemtic Name: 3-bromanyl-4-hexoxy-N-(propan-2-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(isopropylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(propan-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(propan-2-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(isopropylthiocarbamoyl)benzamide Formula: C17H25BrN2O2S MolecularWeight: 401.3616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O2S/c1-4-5-6-7-10-22-15-9-8-13(11-14(15)18)16(21)20-17(23)19-12(2)3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,20,21,23)