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

Systemtic Name: methyl 3-(3-methylbutanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(3-methylbutanoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-methylbutanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(isovalerylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-12(2)10-16(22)20-18(26)19-14-11-13(17(23)24-3)4-5-15(14)21-6-8-25-9-7-21/h4-5,11-12H,6-10H2,1-3H3,(H2,19,20,22,26)