ethyl 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(4-butoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-butoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)N3CCOCC3

InChI

InChI=1S/C25H31N3O5S/c1-3-5-14-33-20-9-6-18(7-10-20)23(29)27-25(34)26-21-17-19(24(30)32-4-2)8-11-22(21)28-12-15-31-16-13-28/h6-11,17H,3-5,12-16H2,1-2H3,(H2,26,27,29,34)