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

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-3-phenethyl-quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-phenethylquinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-3-phenethyl-quinazolin-4-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c31-25(29-17-8-12-21-11-4-7-15-24(21)29)19-33-27-28-23-14-6-5-13-22(23)26(32)30(27)18-16-20-9-2-1-3-10-20/h1-7,9-11,13-15H,8,12,16-19H2