methyl 4-(3-propoxypropylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(3-propoxypropylcarbamothioylamino)benzoate Openeye Name: methyl 4-(3-propoxypropylcarbamothioylamino)benzoate CAS Name: 4-[[(3-propoxypropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-propoxypropylcarbamothioylamino)benzoate Traditional Name: 4-(3-propoxypropylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCOCCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-3-10-20-11-4-9-16-15(21)17-13-7-5-12(6-8-13)14(18)19-2/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,21)