O-[2-[[bis(2-ethylsulfanylethyl)amino]methyl]-6-methanoyl-4-nitro-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: O-[2-[[bis(2-ethylsulfanylethyl)amino]methyl]-6-methanoyl-4-nitro-phenyl] N,N-dimethylcarbamothioate Openeye Name: O-[2-[[bis(2-ethylsulfanylethyl)amino]methyl]-6-formyl-4-nitro-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[2-[[bis[2-(ethylthio)ethyl]amino]methyl]-6-formyl-4-nitrophenyl] ester IUPAC Name: O-[2-[[bis(2-ethylsulfanylethyl)amino]methyl]-6-formyl-4-nitrophenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[2-[[bis[2-(ethylthio)ethyl]amino]methyl]-6-formyl-4-nitro-phenyl] ester Formula: C19H29N3O4S3 MolecularWeight: 459.64626

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(CCSCC)CC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)OC(=S)N(C)C

Isomeric SMILES

CCSCCN(CCSCC)CC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)OC(=S)N(C)C

InChI

InChI=1S/C19H29N3O4S3/c1-5-28-9-7-21(8-10-29-6-2)13-15-11-17(22(24)25)12-16(14-23)18(15)26-19(27)20(3)4/h11-12,14H,5-10,13H2,1-4H3