methyl 4-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-(4-ethoxyphenoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(4-ethoxyphenoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H24N2O4S/c1-3-25-15-10-12-16(13-11-15)26-18-8-5-4-7-17(18)22-20(27)21-14-6-9-19(23)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H2,21,22,27)