methyl 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Cl

InChI

InChI=1S/C22H24ClN3O5S/c1-3-31-19-7-5-14(12-16(19)23)20(27)25-22(32)24-17-13-15(21(28)29-2)4-6-18(17)26-8-10-30-11-9-26/h4-7,12-13H,3,8-11H2,1-2H3,(H2,24,25,27,32)