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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-13(2)17-7-9-18(10-8-17)21(27)23-22(29)25-24-20(26)16(5)28-19-11-6-14(3)15(4)12-19/h6-13,16H,1-5H3,(H,24,26)(H2,23,25,27,29)