dimethyl 5-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[1,4-dioxo-4-(3-phenylpropoxy)butyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-keto-4-(3-phenylpropoxy)butanoyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O7S/c1-31-22(29)17-13-18(23(30)32-2)15-19(14-17)25-24(34)26-20(27)10-11-21(28)33-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H2,25,26,27,34)