2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[(2R)-1-anilino-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(2R)-1-anilino-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[(1R)-2-anilino-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C25H33N4O2S+ MolecularWeight: 453.62012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C25H32N4O2S/c1-17(2)28(18(3)4)15-16-29-24(31)21-13-9-10-14-22(21)27-25(29)32-19(5)23(30)26-20-11-7-6-8-12-20/h6-14,17-19H,15-16H2,1-5H3,(H,26,30)/p+1/t19-/m1/s1