N-[4-chloranyl-3-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(3,5-dimethylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-4-5-19(26)23-15-6-7-17(22)18(11-15)24-21(29)25-20(27)12-28-16-9-13(2)8-14(3)10-16/h6-11H,4-5,12H2,1-3H3,(H,23,26)(H2,24,25,27,29)