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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O2S/c31-25(29-16-15-21-10-4-5-11-22(21)18-29)19-33-27-28-24-13-7-6-12-23(24)26(32)30(27)17-14-20-8-2-1-3-9-20/h4-8,10-13H,1-3,9,14-19H2