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

Systemtic Name: N-[3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[3-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[3-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-3-6-19(25)22-16-7-5-8-17(13-16)23-21(28)24-20(26)14-27-18-11-9-15(4-2)10-12-18/h5,7-13H,3-4,6,14H2,1-2H3,(H,22,25)(H2,23,24,26,28)