[(1S)-2-(cyclohexylcarbamothioylamino)-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-(cyclohexylcarbamothioylamino)-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-(cyclohexylthiocarbamoylamino)-1-phenyl-ethyl]-diethyl-ammonium Formula: C19H32N3S+ MolecularWeight: 334.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NC1CCCCC1)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NC1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C19H31N3S/c1-3-22(4-2)18(16-11-7-5-8-12-16)15-20-19(23)21-17-13-9-6-10-14-17/h5,7-8,11-12,17-18H,3-4,6,9-10,13-15H2,1-2H3,(H2,20,21,23)/p+1/t18-/m1/s1