ethyl 5-[(3-methoxyphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[(3-methoxyphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(3-methoxybenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(3-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-(m-anisoylthiocarbamoylamino)-2-morpholino-benzoic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC)N3CCOCC3

InChI

InChI=1S/C22H25N3O5S/c1-3-30-21(27)18-14-16(7-8-19(18)25-9-11-29-12-10-25)23-22(31)24-20(26)15-5-4-6-17(13-15)28-2/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,26,31)