7-(1,3-benzothiazol-2-yl)-4-[(2S)-2-phenylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(2S)-2-phenylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(2S)-2-phenylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(2S)-2-phenylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(2S)-2-phenylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-[(2S)-2-phenylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCOC2=C(C1)C=C(C=C2O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C[C@H](CN1CCOC2=C(C1)C=C(C=C2O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H24N2O2S/c1-17(18-7-3-2-4-8-18)15-27-11-12-29-24-20(16-27)13-19(14-22(24)28)25-26-21-9-5-6-10-23(21)30-25/h2-10,13-14,17,28H,11-12,15-16H2,1H3/t17-/m1/s1