methyl 4-oxidanylidene-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(3-phenylpropoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-26-20(25)13-12-19(24)23-21(28)22-17-10-5-11-18(15-17)27-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,15H,6,9,12-14H2,1H3,(H2,22,23,24,28)