2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3O3S/c1-29-14-6-12-26-22(28)19-9-4-5-10-20(19)24-23(26)30-16-21(27)25-13-11-17-7-2-3-8-18(17)15-25/h2-5,7-10H,6,11-16H2,1H3