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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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