3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propanamide

Systemtic Name: 3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propanamide Openeye Name: 3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propanamide CAS Name: 3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]propanamide IUPAC Name: 3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propanamide Traditional Name: 3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]propionamide Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=C(C=C2)OC)CCC(=O)NCCSC3=NC=CN3C

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=C(C=C2)OC)CCC(=O)NCCSC3=NC=CN3C

InChI

InChI=1S/C20H28N4O3S/c1-15-13-24(14-16-4-5-17(26-3)12-18(16)27-15)9-6-19(25)21-8-11-28-20-22-7-10-23(20)2/h4-5,7,10,12,15H,6,8-9,11,13-14H2,1-3H3,(H,21,25)/t15-/m0/s1