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

Systemtic Name: 3-phenethyloxy-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: 3-phenethyloxy-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-19(2)21-11-13-23(14-12-21)34-18-25(31)29-30-27(35)28-26(32)22-9-6-10-24(17-22)33-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,29,31)(H2,28,30,32,35)