7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-phenethyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-phenethyl-2-thioxo-1H-quinazolin-4-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S/c30-24(28-14-13-19-8-4-5-9-21(19)17-28)20-10-11-22-23(16-20)27-26(32)29(25(22)31)15-12-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,32)