N-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[[2-(2-chlorophenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-2-3-4-7-14-29-17-12-10-16(11-13-17)21(28)24-22(31)26-25-20(27)15-30-19-9-6-5-8-18(19)23/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,25,27)(H2,24,26,28,31)