N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

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