1-(9-oxidanyl-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one

Systemtic Name: 1-(9-oxidanyl-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Openeye Name: 1-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one CAS Name: 1-[9-hydroxy-7-(1-thianthrenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 1-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Traditional Name: 1-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Formula: C24H21NO3S2 MolecularWeight: 435.55844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCOC2=C(C1)C=C(C=C2O)C3=C4C(=CC=C3)SC5=CC=CC=C5S4

Isomeric SMILES

CCC(=O)N1CCOC2=C(C1)C=C(C=C2O)C3=C4C(=CC=C3)SC5=CC=CC=C5S4

InChI

InChI=1S/C24H21NO3S2/c1-2-22(27)25-10-11-28-23-16(14-25)12-15(13-18(23)26)17-6-5-9-21-24(17)30-20-8-4-3-7-19(20)29-21/h3-9,12-13,26H,2,10-11,14H2,1H3