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

Systemtic Name: O-[[2-methyl-4-phenylsulfanyl-5-propan-2-yl-3-(pyridin-4-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate Openeye Name: O-[[5-isopropyl-2-methyl-4-phenylsulfanyl-3-(4-pyridylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate CAS Name: carbamothioic acid O-[[2-methyl-4-(phenylthio)-5-propan-2-yl-3-(pyridin-4-ylmethyl)-2H-imidazol-1-yl]methyl] ester IUPAC Name: O-[[2-methyl-4-phenylsulfanyl-5-propan-2-yl-3-(pyridin-4-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid O-[[5-isopropyl-2-methyl-4-(phenylthio)-3-(4-pyridylmethyl)-4-imidazolin-1-yl]methyl] ester Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H26N4OS2/c1-15(2)19-20(28-18-7-5-4-6-8-18)24(13-17-9-11-23-12-10-17)16(3)25(19)14-26-21(22)27/h4-12,15-16H,13-14H2,1-3H3,(H2,22,27)