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

Systemtic Name: ethyl 3-[(3-methylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3-methylbenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(m-toluoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-29-21(27)17-7-8-19(25-9-11-28-12-10-25)18(14-17)23-22(30)24-20(26)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,26,30)