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

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: 4-heptoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC

InChI

InChI=1S/C27H37N3O4S/c1-4-6-7-8-11-18-33-22-16-14-21(15-17-22)26(32)28-27(35)30-29-25(31)19-34-24-13-10-9-12-23(24)20(3)5-2/h9-10,12-17,20H,4-8,11,18-19H2,1-3H3,(H,29,31)(H2,28,30,32,35)