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

Systemtic Name: N-[3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-(4-ethylphenoxy)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=CC=C(C=C2)CC

Isomeric SMILES

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

InChI

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