(5S)-4-azanyl-2-methylsulfanyl-5-(4-phenylmethoxyphenyl)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one

Systemtic Name: (5S)-4-azanyl-2-methylsulfanyl-5-(4-phenylmethoxyphenyl)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Openeye Name: (5S)-4-amino-5-(4-benzyloxyphenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one CAS Name: (5S)-4-amino-2-(methylthio)-5-(4-phenylmethoxyphenyl)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one IUPAC Name: (5S)-4-amino-2-methylsulfanyl-5-(4-phenylmethoxyphenyl)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Traditional Name: (5S)-4-amino-5-(4-benzoxyphenyl)-2-(methylthio)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(C3=C(C2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=N1)N

Isomeric SMILES

CSC1=NC2=C([C@@H](C3=C(C2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=N1)N

InChI

InChI=1S/C26H25N3O2S/c1-32-26-28-20-14-18-8-5-9-21(30)22(18)23(24(20)25(27)29-26)17-10-12-19(13-11-17)31-15-16-6-3-2-4-7-16/h2-4,6-7,10-13,23H,5,8-9,14-15H2,1H3,(H2,27,28,29)/t23-/m1/s1