methyl 4-morpholin-4-yl-3-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(4-benzyloxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-benzoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5S/c1-33-26(32)21-9-12-24(30-13-15-34-16-14-30)23(17-21)28-27(36)29-25(31)20-7-10-22(11-8-20)35-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,28,29,31,36)