tert-butyl 4-[4-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H24N6O4S2 MolecularWeight: 452.55096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NNC(=S)N(C1=O)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N6O4S2/c1-10-15(26)24(16(29)21-20-10)22-13(25)12-9-30-14(19-12)11-5-7-23(8-6-11)17(27)28-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,21,29)(H,22,25)