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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C27H25N3O4S/c1-33-23-12-11-20(15-24(23)34-2)30-26(32)21-9-5-6-10-22(21)28-27(30)35-17-25(31)29-14-13-18-7-3-4-8-19(18)16-29/h3-12,15H,13-14,16-17H2,1-2H3