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

Systemtic Name: O-[[2-methyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-3-(pyridin-3-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate Openeye Name: O-[[5-isopropyl-2-methyl-4-(3-nitrophenyl)sulfanyl-3-(3-pyridylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate CAS Name: carbamothioic acid O-[[2-methyl-4-[(3-nitrophenyl)thio]-5-propan-2-yl-3-(3-pyridinylmethyl)-2H-imidazol-1-yl]methyl] ester IUPAC Name: O-[[2-methyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-3-(pyridin-3-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid O-[[5-isopropyl-2-methyl-4-[(3-nitrophenyl)thio]-3-(3-pyridylmethyl)-4-imidazolin-1-yl]methyl] ester Formula: C21H25N5O3S2 MolecularWeight: 459.5849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])CC3=CN=CC=C3

Isomeric SMILES

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C21H25N5O3S2/c1-14(2)19-20(31-18-8-4-7-17(10-18)26(27)28)24(12-16-6-5-9-23-11-16)15(3)25(19)13-29-21(22)30/h4-11,14-15H,12-13H2,1-3H3,(H2,22,30)