methyl 4-(1,4-dioxan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(1,4-dioxan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(1,4-dioxan-2-ylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(1,4-dioxan-2-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,4-dioxan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(1,4-dioxan-2-ylmethylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2COCCO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2COCCO2

InChI

InChI=1S/C14H18N2O4S/c1-18-13(17)10-2-4-11(5-3-10)16-14(21)15-8-12-9-19-6-7-20-12/h2-5,12H,6-9H2,1H3,(H2,15,16,21)