methyl 3-[[3-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-(3-phenylpropoxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c1-30-24(29)20-12-5-11-19(16-20)23(28)27-25(32)26-21-13-6-14-22(17-21)31-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16-17H,7,10,15H2,1H3,(H2,26,27,28,32)