[(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C19H24ClN4O2S+ MolecularWeight: 407.93746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O2S/c1-3-23(4-2)18(14-8-6-5-7-9-14)13-21-19(27)22-17-12-15(24(25)26)10-11-16(17)20/h5-12,18H,3-4,13H2,1-2H3,(H2,21,22,27)/p+1/t18-/m1/s1