ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(p-tolylmethylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(4-methylphenyl)methylamino]-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-[(4-methylbenzyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C19H25N5O3S/c1-3-27-19(26)24-10-8-23(9-11-24)13-16-21-22-18(28-16)17(25)20-12-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,20,25)