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

Systemtic Name: 2-[2-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(3-acetamidoanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-(3-acetamidoanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(3-acetamidoanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C26H34N5O3S+ MolecularWeight: 496.64486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)NC(=O)C)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)NC(=O)C)C(C)C

InChI

InChI=1S/C26H33N5O3S/c1-17(2)30(18(3)4)13-14-31-25(34)22-11-6-7-12-23(22)29-26(31)35-16-24(33)28-21-10-8-9-20(15-21)27-19(5)32/h6-12,15,17-18H,13-14,16H2,1-5H3,(H,27,32)(H,28,33)/p+1