N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)CC

InChI

InChI=1S/C25H33N3O4S/c1-3-5-6-7-8-17-31-21-15-11-20(12-16-21)24(30)26-25(33)28-27-23(29)18-32-22-13-9-19(4-2)10-14-22/h9-16H,3-8,17-18H2,1-2H3,(H,27,29)(H2,26,28,30,33)