N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 4-phenethyloxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 4-phenethyloxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O4S/c1-3-20(2)24-11-7-8-12-25(24)35-19-26(32)30-31-28(36)29-27(33)22-13-15-23(16-14-22)34-18-17-21-9-5-4-6-10-21/h4-16,20H,3,17-19H2,1-2H3,(H,30,32)(H2,29,31,33,36)