7-chloranyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-chloro-3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-chloro-3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-chloro-3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-chloro-3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H18ClN3O2S MolecularWeight: 447.93662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

InChI

InChI=1S/C24H18ClN3O2S/c25-18-8-9-20-21(13-18)26-24(31)28(23(20)30)19-7-3-6-16(12-19)22(29)27-11-10-15-4-1-2-5-17(15)14-27/h1-9,12-13H,10-11,14H2,(H,26,31)