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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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