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

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-nitrophenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-21(2)17(13-5-4-6-16(11-13)25-3)12-19-18(26)20-14-7-9-15(10-8-14)22(23)24/h4-11,17H,12H2,1-3H3,(H2,19,20,26)/p+1/t17-/m1/s1