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

Systemtic Name: 3-bromanyl-4-hexoxy-N-(3-methoxypropylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(3-methoxypropylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-methoxypropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(3-methoxypropylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(3-methoxypropylthiocarbamoyl)benzamide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O3S/c1-3-4-5-6-12-24-16-9-8-14(13-15(16)19)17(22)21-18(25)20-10-7-11-23-2/h8-9,13H,3-7,10-12H2,1-2H3,(H2,20,21,22,25)