5-bromanyl-N-(2-oxidanylpropylcarbamothioyl)-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-(2-oxidanylpropylcarbamothioyl)-2-propoxy-benzamide Openeye Name: 5-bromo-N-(2-hydroxypropylcarbamothioyl)-2-propoxy-benzamide CAS Name: 5-bromo-N-[(2-hydroxypropylamino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-(2-hydroxypropylcarbamothioyl)-2-propoxybenzamide Traditional Name: 5-bromo-N-(2-hydroxypropylthiocarbamoyl)-2-propoxy-benzamide Formula: C14H19BrN2O3S MolecularWeight: 375.28126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC(C)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC(C)O

InChI

InChI=1S/C14H19BrN2O3S/c1-3-6-20-12-5-4-10(15)7-11(12)13(19)17-14(21)16-8-9(2)18/h4-5,7,9,18H,3,6,8H2,1-2H3,(H2,16,17,19,21)