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

Systemtic Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-bromophenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-bromophenyl)thiocarbamoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC(=CC=C1)Br)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC(=CC=C1)Br)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22BrN3OS/c1-22(2)17(13-7-9-16(23-3)10-8-13)12-20-18(24)21-15-6-4-5-14(19)11-15/h4-11,17H,12H2,1-3H3,(H2,20,21,24)/p+1/t17-/m1/s1