tert-butyl (2R)-5-[4-(4-cyanophenyl)piperazin-1-yl]-5-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate

Systemtic Name: tert-butyl (2R)-5-[4-(4-cyanophenyl)piperazin-1-yl]-5-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate Openeye Name: tert-butyl (2R)-5-[4-(4-cyanophenyl)piperazin-1-yl]-5-oxo-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)pentanoate CAS Name: (2R)-5-[4-(4-cyanophenyl)-1-piperazinyl]-5-oxo-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-5-[4-(4-cyanophenyl)piperazin-1-yl]-5-oxo-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate Traditional Name: (2R)-5-[4-(4-cyanophenyl)piperazino]-5-keto-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)valeric acid tert-butyl ester Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#N)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#N)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C28H31N5O4S/c1-28(2,3)37-26(36)23(33-25(35)21-6-4-5-7-22(21)30-27(33)38)12-13-24(34)32-16-14-31(15-17-32)20-10-8-19(18-29)9-11-20/h4-11,23H,12-17H2,1-3H3,(H,30,38)/t23-/m1/s1