methyl 2-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]benzoate Traditional Name: 2-[[5-keto-5-(3-phenylpropoxy)pentanoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O5S/c1-29-22(28)18-12-5-6-13-19(18)24-23(31)25-20(26)14-7-15-21(27)30-16-8-11-17-9-3-2-4-10-17/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H2,24,25,26,31)