[(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-(p-phenetylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC(C2=CC(=CC=C2)OC)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC(=CC=C2)OC)[NH+](C)C

InChI

InChI=1S/C20H27N3O2S/c1-5-25-17-11-9-16(10-12-17)22-20(26)21-14-19(23(2)3)15-7-6-8-18(13-15)24-4/h6-13,19H,5,14H2,1-4H3,(H2,21,22,26)/p+1/t19-/m1/s1