dimethyl-[(1R)-2-[(4-nitrophenyl)carbamothioylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(4-nitrophenyl)carbamothioylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(4-nitrophenyl)carbamothioylamino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(4-nitrophenyl)carbamothioylamino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(4-nitrophenyl)thiocarbamoylamino]-1-(2-thienyl)ethyl]ammonium Formula: C15H19N4O2S2+ MolecularWeight: 351.46696

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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=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C15H18N4O2S2/c1-18(2)13(14-4-3-9-23-14)10-16-15(22)17-11-5-7-12(8-6-11)19(20)21/h3-9,13H,10H2,1-2H3,(H2,16,17,22)/p+1/t13-/m1/s1