3-[2-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C26H32N4O3S/c1-5-29(6-2)15-10-16-30-25(33)22-13-7-8-14-23(22)28-26(30)34-19(4)24(32)27-21-12-9-11-20(17-21)18(3)31/h7-9,11-14,17,19H,5-6,10,15-16H2,1-4H3,(H,27,32)/p+1/t19-/m1/s1