methyl 2-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[1,4-dioxo-4-(3-phenylpropoxy)butyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzoate Traditional Name: 2-[[4-keto-4-(3-phenylpropoxy)butanoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-28-21(27)17-11-5-6-12-18(17)23-22(30)24-19(25)13-14-20(26)29-15-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H2,23,24,25,30)