N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-13(2)16-5-7-17(8-6-16)20(26)22-21(28)24-23-19(25)12-27-18-10-14(3)9-15(4)11-18/h5-11,13H,12H2,1-4H3,(H,23,25)(H2,22,24,26,28)