3-[[bis(phenylmethyl)amino]methyl]-6,8-bis(bromanyl)-3-phenylsulfanyl-2H-chromen-4-one

Systemtic Name: 3-[[bis(phenylmethyl)amino]methyl]-6,8-bis(bromanyl)-3-phenylsulfanyl-2H-chromen-4-one Openeye Name: 6,8-dibromo-3-[(dibenzylamino)methyl]-3-phenylsulfanyl-chroman-4-one CAS Name: 3-[[bis(phenylmethyl)amino]methyl]-6,8-dibromo-3-(phenylthio)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-3-[(dibenzylamino)methyl]-3-phenylsulfanyl-2H-chromen-4-one Traditional Name: 6,8-dibromo-3-[(dibenzylamino)methyl]-3-(phenylthio)chroman-4-one Formula: C30H25Br2NO2S MolecularWeight: 623.398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC(=CC(=C2O1)Br)Br)(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)C2=CC(=CC(=C2O1)Br)Br)(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C30H25Br2NO2S/c31-24-16-26-28(27(32)17-24)35-21-30(29(26)34,36-25-14-8-3-9-15-25)20-33(18-22-10-4-1-5-11-22)19-23-12-6-2-7-13-23/h1-17H,18-21H2