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

Systemtic Name: 3-[2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C26H39N4O2S+ MolecularWeight: 471.67846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C26H38N4O2S/c1-4-29(5-2)18-11-19-30-25(32)22-14-9-10-15-23(22)28-26(30)33-20(3)24(31)27-17-16-21-12-7-6-8-13-21/h9-10,12,14-15,20H,4-8,11,13,16-19H2,1-3H3,(H,27,31)/p+1/t20-/m1/s1