N-[4-chloranyl-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-3-5-18(25)22-14-8-9-16(21)17(11-14)23-20(28)24-19(26)12-27-15-7-4-6-13(2)10-15/h4,6-11H,3,5,12H2,1-2H3,(H,22,25)(H2,23,24,26,28)