methyl 3-(2-dimethylaminoethylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(2-dimethylaminoethylcarbamothioylamino)benzoate Openeye Name: methyl 3-(2-dimethylaminoethylcarbamothioylamino)benzoate CAS Name: 3-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-dimethylaminoethylcarbamothioylamino)benzoate Traditional Name: 3-(2-dimethylaminoethylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=S)NC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C13H19N3O2S/c1-16(2)8-7-14-13(19)15-11-6-4-5-10(9-11)12(17)18-3/h4-6,9H,7-8H2,1-3H3,(H2,14,15,19)