methyl 4-morpholin-4-yl-3-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-(naphthalen-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-morpholino-3-(naphthalene-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[2-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-(naphthalene-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-morpholino-3-(2-naphthoylthiocarbamoylamino)benzoic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23N3O4S/c1-30-23(29)19-8-9-21(27-10-12-31-13-11-27)20(15-19)25-24(32)26-22(28)18-7-6-16-4-2-3-5-17(16)14-18/h2-9,14-15H,10-13H2,1H3,(H2,25,26,28,32)