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

Systemtic Name: methyl 3-(ethanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(acetylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[acetamido(sulfanylidene)methyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(acetylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(acetylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2

Isomeric SMILES

CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2

InChI

InChI=1S/C15H19N3O4S/c1-10(19)16-15(23)17-12-9-11(14(20)21-2)3-4-13(12)18-5-7-22-8-6-18/h3-4,9H,5-8H2,1-2H3,(H2,16,17,19,23)