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

Systemtic Name: methyl 4-morpholin-4-yl-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4S/c1-32-25(31)21-11-12-23(29-13-15-33-16-14-29)22(17-21)27-26(34)28-24(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H2,27,28,30,34)