methyl 5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(3,5-dimethylbenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(3,5-dimethylbenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)C

InChI

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