3-[2-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-[[(4S)-chroman-4-yl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-[[(4S)-chroman-4-yl]amino]-2-keto-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=C1SCC(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H]3CCOC4=CC=CC=C34

InChI

InChI=1S/C26H32N4O3S/c1-3-29(4-2)15-9-16-30-25(32)20-11-5-7-12-21(20)28-26(30)34-18-24(31)27-22-14-17-33-23-13-8-6-10-19(22)23/h5-8,10-13,22H,3-4,9,14-18H2,1-2H3,(H,27,31)/p+1/t22-/m0/s1