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

Systemtic Name: 3-bromanyl-N-(1-oxidanylbutan-2-ylcarbamothioyl)-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[1-(hydroxymethyl)propylcarbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(1-hydroxybutan-2-ylamino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-(1-hydroxybutan-2-ylcarbamothioyl)-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-(1-methylolpropylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br

Isomeric SMILES

CCC(CO)NC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-2-16(13-24)22-20(27)23-19(25)15-8-9-18(17(21)12-15)26-11-10-14-6-4-3-5-7-14/h3-9,12,16,24H,2,10-11,13H2,1H3,(H2,22,23,25,27)