ethyl 4-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-keto-5-(3-phenylpropoxy)pentanoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-2-30-23(29)19-13-15-20(16-14-19)25-24(32)26-21(27)11-6-12-22(28)31-17-7-10-18-8-4-3-5-9-18/h3-5,8-9,13-16H,2,6-7,10-12,17H2,1H3,(H2,25,26,27,32)