7-chloranyl-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C23H22ClN3O2S/c1-3-11-27-22(29)19-9-8-18(24)13-20(19)25-23(27)30-15(2)21(28)26-12-10-16-6-4-5-7-17(16)14-26/h3-9,13,15H,1,10-12,14H2,2H3