methyl 4-[[4-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-phenylpropoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(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=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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