2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate Openeye Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 3-methyl-4-(p-tolyl)piperazine-1-carboxylate CAS Name: 3-methyl-4-(4-methylphenyl)-1-piperazinecarboxylic acid 2-(2,1,3-benzoxadiazol-5-ylmethylthio)ethyl ester IUPAC Name: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)ethyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate Traditional Name: 3-methyl-4-(p-tolyl)piperazine-1-carboxylic acid 2-(benzofurazan-5-ylmethylthio)ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)OCCSCC3=CC4=NON=C4C=C3

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)OCCSCC3=CC4=NON=C4C=C3

InChI

InChI=1S/C22H26N4O3S/c1-16-3-6-19(7-4-16)26-10-9-25(14-17(26)2)22(27)28-11-12-30-15-18-5-8-20-21(13-18)24-29-23-20/h3-8,13,17H,9-12,14-15H2,1-2H3