diethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(4-nitrophenyl)thiocarbamoylamino]-1-phenyl-ethyl]ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-3-22(4-2)18(15-8-6-5-7-9-15)14-20-19(26)21-16-10-12-17(13-11-16)23(24)25/h5-13,18H,3-4,14H2,1-2H3,(H2,20,21,26)/p+1/t18-/m1/s1