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

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[(2R)-1-anilino-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(2R)-1-anilino-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[(1R)-2-anilino-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C22H26N4O2S/c1-16(20(27)23-17-10-5-4-6-11-17)29-22-24-19-13-8-7-12-18(19)21(28)26(22)15-9-14-25(2)3/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,23,27)/p+1/t16-/m1/s1