N-(2-oxidanylpropylcarbamothioyl)-4-pentoxy-benzamide

Systemtic Name: N-(2-oxidanylpropylcarbamothioyl)-4-pentoxy-benzamide Openeye Name: N-(2-hydroxypropylcarbamothioyl)-4-pentoxy-benzamide CAS Name: N-[(2-hydroxypropylamino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-(2-hydroxypropylcarbamothioyl)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(2-hydroxypropylthiocarbamoyl)benzamide Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC(C)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC(C)O

InChI

InChI=1S/C16H24N2O3S/c1-3-4-5-10-21-14-8-6-13(7-9-14)15(20)18-16(22)17-11-12(2)19/h6-9,12,19H,3-5,10-11H2,1-2H3,(H2,17,18,20,22)