methyl 4-morpholin-4-yl-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-morpholino-3-(naphthalene-1-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-(naphthalene-1-carbonylcarbamothioylamino)benzoate Traditional Name: 4-morpholino-3-(1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

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