dimethyl-[3-(phenylcarbonylcarbamothioylamino)propyl]azanium

Systemtic Name: dimethyl-[3-(phenylcarbonylcarbamothioylamino)propyl]azanium Openeye Name: 3-(benzoylcarbamothioylamino)propyl-dimethyl-ammonium CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-(benzoylcarbamothioylamino)propyl-dimethylazanium Traditional Name: 3-(benzoylthiocarbamoylamino)propyl-dimethyl-ammonium Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC(=O)C1=CC=CC=C1

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H19N3OS/c1-16(2)10-6-9-14-13(18)15-12(17)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H2,14,15,17,18)/p+1