methyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

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