N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)C)CCC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=CC(=C2)C)CCC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-15-7-8-19-17(11-15)14-25(13-16(2)27-19)10-9-21(26)23-12-22-24-18-5-3-4-6-20(18)28-22/h3-8,11,16H,9-10,12-14H2,1-2H3,(H,23,26)/t16-/m0/s1