O-[[2,3-dimethyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-2H-imidazol-1-yl]methyl] carbamothioate

Systemtic Name: O-[[2,3-dimethyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-2H-imidazol-1-yl]methyl] carbamothioate Openeye Name: O-[[5-isopropyl-2,3-dimethyl-4-(3-nitrophenyl)sulfanyl-2H-imidazol-1-yl]methyl] carbamothioate CAS Name: carbamothioic acid O-[[2,3-dimethyl-4-[(3-nitrophenyl)thio]-5-propan-2-yl-2H-imidazol-1-yl]methyl] ester IUPAC Name: O-[[2,3-dimethyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-2H-imidazol-1-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid O-[[5-isopropyl-2,3-dimethyl-4-[(3-nitrophenyl)thio]-4-imidazolin-1-yl]methyl] ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N4O3S2/c1-10(2)14-15(18(4)11(3)19(14)9-23-16(17)24)25-13-7-5-6-12(8-13)20(21)22/h5-8,10-11H,9H2,1-4H3,(H2,17,24)