methyl 3-(2-methylpropanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2-methylpropanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(2-methylpropanoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(isobutyrylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-11(2)15(21)19-17(25)18-13-10-12(16(22)23-3)4-5-14(13)20-6-8-24-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,21,25)