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

Systemtic Name: dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-pyridin-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(4-nitrophenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]ammonium Formula: C16H20N5O2S+ MolecularWeight: 346.4273

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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=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-20(2)15(12-4-3-9-17-10-12)11-18-16(24)19-13-5-7-14(8-6-13)21(22)23/h3-10,15H,11H2,1-2H3,(H2,18,19,24)/p+1/t15-/m1/s1