[(1S)-2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(diethylthiocarbamoylthio)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H28N3OS2+ MolecularWeight: 354.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NCC(C1=CC=CC=C1)[NH+](C)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC[C@H](C1=CC=CC=C1)[NH+](C)C

InChI

InChI=1S/C17H27N3OS2/c1-5-20(6-2)17(22)23-13-16(21)18-12-15(19(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3,(H,18,21)/p+1/t15-/m1/s1