tert-butyl 4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H32N4O4S/c1-23(2,3)31-22(30)26-15-13-25(14-16-26)19(28)11-5-4-8-12-27-20(29)17-9-6-7-10-18(17)24-21(27)32/h6-7,9-10H,4-5,8,11-16H2,1-3H3,(H,24,32)