2-[2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[2-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl]ammonium Formula: C28H39N4O2S+ MolecularWeight: 495.69986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O2S/c1-18(2)22-13-10-11-21(7)26(22)30-25(33)17-35-28-29-24-14-9-8-12-23(24)27(34)32(28)16-15-31(19(3)4)20(5)6/h8-14,18-20H,15-17H2,1-7H3,(H,30,33)/p+1