[(1S)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2,6-diethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2,6-diethylphenyl)thiocarbamoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CC=CC=C2OC)[NH+](C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC[C@H](C2=CC=CC=C2OC)[NH+](C)C

InChI

InChI=1S/C22H31N3OS/c1-6-16-11-10-12-17(7-2)21(16)24-22(27)23-15-19(25(3)4)18-13-8-9-14-20(18)26-5/h8-14,19H,6-7,15H2,1-5H3,(H2,23,24,27)/p+1/t19-/m1/s1