N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]phenyl]valeramide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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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)Cl)C

Isomeric SMILES

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

InChI

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