4-[dimethylamino(phenylcarbamothioyl)amino]butanoate

Systemtic Name: 4-[dimethylamino(phenylcarbamothioyl)amino]butanoate Openeye Name: 4-[dimethylamino(phenylcarbamothioyl)amino]butanoate CAS Name: 4-[[anilino(sulfanylidene)methyl]-(dimethylamino)amino]butanoate IUPAC Name: 4-[dimethylamino(phenylcarbamothioyl)amino]butanoate Traditional Name: 4-[dimethylamino(phenylthiocarbamoyl)amino]butyrate Formula: C13H18N3O2S- MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N(CCCC(=O)[O-])C(=S)NC1=CC=CC=C1

Isomeric SMILES

CN(C)N(CCCC(=O)[O-])C(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H19N3O2S/c1-15(2)16(10-6-9-12(17)18)13(19)14-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,19)(H,17,18)/p-1