2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(2,6-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(2,6-dimethylphenyl)quinazolin-4-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25N3O2S/c1-18-8-7-9-19(2)25(18)30-26(32)22-12-5-6-13-23(22)28-27(30)33-17-24(31)29-15-14-20-10-3-4-11-21(20)16-29/h3-13H,14-17H2,1-2H3