[(1S)-2-[(4-ethanoylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-ethanoylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-acetylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-acetylanilino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-acetylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-acetylphenyl)thiocarbamoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-14(24)15-9-11-16(12-10-15)22-20(26)21-13-18(23(2)3)17-7-5-6-8-19(17)25-4/h5-12,18H,13H2,1-4H3,(H2,21,22,26)/p+1/t18-/m1/s1