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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NCC(C2=CC=CC=C2OC)[NH+](C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC[C@H](C2=CC=CC=C2OC)[NH+](C)C

InChI

InChI=1S/C20H27N3O2S/c1-5-25-19-13-9-7-11-16(19)22-20(26)21-14-17(23(2)3)15-10-6-8-12-18(15)24-4/h6-13,17H,5,14H2,1-4H3,(H2,21,22,26)/p+1/t17-/m1/s1