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

Systemtic Name: N-[4-chloranyl-3-[2-(4-cyclohexylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(4-cyclohexylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(4-cyclohexylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(4-cyclohexylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)COC2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)COC2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C25H30ClN3O3S/c1-2-6-23(30)27-19-11-14-21(26)22(15-19)28-25(33)29-24(31)16-32-20-12-9-18(10-13-20)17-7-4-3-5-8-17/h9-15,17H,2-8,16H2,1H3,(H,27,30)(H2,28,29,31,33)