methyl 3-[(2-thiomorpholin-4-ylcarbonylphenyl)carbamoylamino]benzoate

Systemtic Name: methyl 3-[(2-thiomorpholin-4-ylcarbonylphenyl)carbamoylamino]benzoate Openeye Name: methyl 3-[[2-(thiomorpholine-4-carbonyl)phenyl]carbamoylamino]benzoate CAS Name: 3-[[oxo-[2-[oxo(thiomorpholin-4-yl)methyl]anilino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(thiomorpholine-4-carbonyl)phenyl]carbamoylamino]benzoate Traditional Name: 3-[[2-(thiomorpholine-4-carbonyl)phenyl]carbamoylamino]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)N3CCSCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)N3CCSCC3

InChI

InChI=1S/C20H21N3O4S/c1-27-19(25)14-5-4-6-15(13-14)21-20(26)22-17-8-3-2-7-16(17)18(24)23-9-11-28-12-10-23/h2-8,13H,9-12H2,1H3,(H2,21,22,26)