methyl 4-[2-(C-morpholin-4-yl-N-phenyl-carbonimidoyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(C-morpholin-4-yl-N-phenyl-carbonimidoyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(C-morpholino-N-phenyl-carbonimidoyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-morpholinyl(phenylimino)methyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(C-morpholino-N-phenyl-carbonimidoyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H23N3O4S/c1-27-20(26)16-7-9-18(10-8-16)22-19(25)15-29-21(24-11-13-28-14-12-24)23-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,22,25)