2-(2-sulfanylideneimidazolidin-1-yl)ethyl N-(4-methyl-2-nitro-phenyl)carbamate

Systemtic Name: 2-(2-sulfanylideneimidazolidin-1-yl)ethyl N-(4-methyl-2-nitro-phenyl)carbamate Openeye Name: 2-(2-thioxoimidazolidin-1-yl)ethyl N-(4-methyl-2-nitro-phenyl)carbamate CAS Name: N-(4-methyl-2-nitrophenyl)carbamic acid 2-(2-sulfanylidene-1-imidazolidinyl)ethyl ester IUPAC Name: 2-(2-sulfanylideneimidazolidin-1-yl)ethyl N-(4-methyl-2-nitrophenyl)carbamate Traditional Name: N-(4-methyl-2-nitro-phenyl)carbamic acid 2-(2-thioxoimidazolidin-1-yl)ethyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)OCCN2CCNC2=S)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)OCCN2CCNC2=S)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-9-2-3-10(11(8-9)17(19)20)15-13(18)21-7-6-16-5-4-14-12(16)22/h2-3,8H,4-7H2,1H3,(H,14,22)(H,15,18)