[3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl] 4-(phenylmethyl)piperidine-1-carbodithioate

Systemtic Name: [3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl] 4-(phenylmethyl)piperidine-1-carbodithioate Openeye Name: [2-hydroxy-3-(2-methyl-5-nitro-imidazol-1-yl)propyl] 4-benzylpiperidine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperidinecarbodithioic acid [2-hydroxy-3-(2-methyl-5-nitro-1-imidazolyl)propyl] ester IUPAC Name: [2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propyl] 4-benzylpiperidine-1-carbodithioate Traditional Name: 4-benzylpiperidine-1-carbodithioic acid [2-hydroxy-3-(2-methyl-5-nitro-imidazol-1-yl)propyl] ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(CSC(=S)N2CCC(CC2)CC3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(CSC(=S)N2CCC(CC2)CC3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3S2/c1-15-21-12-19(24(26)27)23(15)13-18(25)14-29-20(28)22-9-7-17(8-10-22)11-16-5-3-2-4-6-16/h2-6,12,17-18,25H,7-11,13-14H2,1H3