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

Systemtic Name: ethyl 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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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)OCC)N3CCOCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-3-31-20-8-6-15(13-17(20)24)21(28)26-23(33)25-18-14-16(22(29)32-4-2)5-7-19(18)27-9-11-30-12-10-27/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,25,26,28,33)