3-bromanyl-4-hexoxy-N-(1-oxidanylbutan-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(1-oxidanylbutan-2-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-[1-(hydroxymethyl)propylcarbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(1-hydroxybutan-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(1-methylolpropylthiocarbamoyl)benzamide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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