methyl 4-(thiomorpholin-4-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4-(thiomorpholin-4-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(thiomorpholine-4-carbothioylamino)benzoate CAS Name: 4-[[sulfanylidene(thiomorpholin-4-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(thiomorpholine-4-carbothioylamino)benzoate Traditional Name: 4-(thiomorpholine-4-carbothioylamino)benzoic acid methyl ester Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCSCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCSCC2

InChI

InChI=1S/C13H16N2O2S2/c1-17-12(16)10-2-4-11(5-3-10)14-13(18)15-6-8-19-9-7-15/h2-5H,6-9H2,1H3,(H,14,18)