N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C22H27N3O4S/c1-3-4-5-13-28-18-11-9-17(10-12-18)21(27)23-22(30)25-24-20(26)15-29-19-8-6-7-16(2)14-19/h6-12,14H,3-5,13,15H2,1-2H3,(H,24,26)(H2,23,25,27,30)