methyl 2-(3-methoxypropylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(3-methoxypropylcarbamothioylamino)benzoate Openeye Name: methyl 2-(3-methoxypropylcarbamothioylamino)benzoate CAS Name: 2-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-methoxypropylcarbamothioylamino)benzoate Traditional Name: 2-(3-methoxypropylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

COCCCNC(=S)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H18N2O3S/c1-17-9-5-8-14-13(19)15-11-7-4-3-6-10(11)12(16)18-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,15,19)