2-[2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C25H31N5O4S/c1-16(2)28(17(3)4)12-13-29-24(32)20-8-6-7-9-21(20)27-25(29)35-15-23(31)26-22-14-19(30(33)34)11-10-18(22)5/h6-11,14,16-17H,12-13,15H2,1-5H3,(H,26,31)/p+1