3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCC4=CC=CC=C4C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCC4=CC=CC=C4C3)OCC

InChI

InChI=1S/C24H27N3O4S/c1-3-30-20-13-18-19(14-21(20)31-4-2)25-24(32)27(23(18)29)12-10-22(28)26-11-9-16-7-5-6-8-17(16)15-26/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,25,32)