ethyl 4-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1,4-dioxo-4-(3-phenylpropoxy)butyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-keto-4-(3-phenylpropoxy)butanoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O5S/c1-2-29-22(28)18-10-12-19(13-11-18)24-23(31)25-20(26)14-15-21(27)30-16-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H2,24,25,26,31)