2-[(4-carbamothioylphenyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-carbamothioylphenyl)amino]ethyl-diethyl-azanium Openeye Name: 2-(4-carbamothioylanilino)ethyl-diethyl-ammonium CAS Name: 2-(4-carbamothioylanilino)ethyl-diethylammonium IUPAC Name: 2-(4-carbamothioylanilino)ethyl-diethylazanium Traditional Name: diethyl-[2-(4-thiocarbamoylanilino)ethyl]ammonium Formula: C13H22N3S+ MolecularWeight: 252.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

CC[NH+](CC)CCNC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C13H21N3S/c1-3-16(4-2)10-9-15-12-7-5-11(6-8-12)13(14)17/h5-8,15H,3-4,9-10H2,1-2H3,(H2,14,17)/p+1