methyl 2-methoxy-5-[(propylcarbamothioylamino)methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[(propylcarbamothioylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(propylcarbamothioylamino)methyl]benzoate CAS Name: 2-methoxy-5-[[[propylamino(sulfanylidene)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(propylcarbamothioylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[(propylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC

Isomeric SMILES

CCCNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC

InChI

InChI=1S/C14H20N2O3S/c1-4-7-15-14(20)16-9-10-5-6-12(18-2)11(8-10)13(17)19-3/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,20)