3-[2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H34N4O2S/c1-4-29(5-2)16-10-17-31-26(33)23-13-8-9-14-24(23)28-27(31)34-20(3)25(32)30-18-15-21-11-6-7-12-22(21)19-30/h6-9,11-14,20H,4-5,10,15-19H2,1-3H3/p+1/t20-/m1/s1