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

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

Isomeric SMILES

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

InChI

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