methyl 4-morpholin-4-yl-3-(phenylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-(phenylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

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