N-[3-[2-(2,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[2-(2,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-(2,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-(2,4-dimethylphenoxy)acetyl]thiocarbamoylamino]phenyl]valeramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)C)C

InChI

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