tert-butyl 3-[[1-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-[(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]-3-piperidyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[1-[[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-3-piperidinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[1-[[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-3-piperidyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H33N5O3S3 MolecularWeight: 487.70272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)CN3C(=S)SC(=N3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)CN3C(=S)SC(=N3)SC

InChI

InChI=1S/C20H33N5O3S3/c1-20(2,3)28-18(27)24-10-5-7-14(11-24)16(26)21-15-8-6-9-23(12-15)13-25-19(29)31-17(22-25)30-4/h14-15H,5-13H2,1-4H3,(H,21,26)