3-[(4-carbamothioylphenyl)carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-carbamothioylphenyl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-carbamothioylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-carbamothioylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-carbamothioylbenzoyl)amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[(4-thiocarbamoylbenzoyl)amino]propyl]ammonium Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3OS/c1-16(2)9-3-8-15-13(17)11-6-4-10(5-7-11)12(14)18/h4-7H,3,8-9H2,1-2H3,(H2,14,18)(H,15,17)/p+1