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

Systemtic Name: N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H24ClN3O3S/c1-12(2)15-5-7-16(8-6-15)20(27)23-21(29)25-24-18(26)11-28-17-9-13(3)19(22)14(4)10-17/h5-10,12H,11H2,1-4H3,(H,24,26)(H2,23,25,27,29)