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

Systemtic Name: ethyl 4-morpholin-4-yl-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoate Openeye Name: ethyl 4-morpholino-3-(naphthalene-1-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-(naphthalene-1-carbonylcarbamothioylamino)benzoate Traditional Name: 4-morpholino-3-(1-naphthoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-2-32-24(30)18-10-11-22(28-12-14-31-15-13-28)21(16-18)26-25(33)27-23(29)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,16H,2,12-15H2,1H3,(H2,26,27,29,33)