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

Systemtic Name: propyl 4-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-keto-5-(3-phenylpropoxy)pentanoyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-2-17-32-24(30)20-13-15-21(16-14-20)26-25(33)27-22(28)11-6-12-23(29)31-18-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-16H,2,6-7,10-12,17-18H2,1H3,(H2,26,27,28,33)