methyl 2-morpholin-4-yl-5-(phenylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-morpholin-4-yl-5-(phenylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 5-(benzoylcarbamothioylamino)-2-morpholino-benzoate CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-(benzoylcarbamothioylamino)-2-morpholin-4-ylbenzoate Traditional Name: 5-(benzoylthiocarbamoylamino)-2-morpholino-benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2)N3CCOCC3

InChI

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