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

Systemtic Name: 4-heptoxy-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-4-5-6-7-8-17-32-22-15-11-21(12-16-22)25(31)27-26(34)29-28-24(30)18-33-23-13-9-20(10-14-23)19(2)3/h9-16,19H,4-8,17-18H2,1-3H3,(H,28,30)(H2,27,29,31,34)