N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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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=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-17(2)22-14-9-18(3)15-23(22)32-16-24(30)28-29-26(33)27-25(31)21-12-10-20(11-13-21)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,28,30)(H2,27,29,31,33)