3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

Systemtic Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide Openeye Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[[2-(2-thienyl)thiazol-4-yl]methyl]propanamide CAS Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-thiophen-2-yl-4-thiazolyl)methyl]propanamide IUPAC Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide Traditional Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[[2-(2-thienyl)thiazol-4-yl]methyl]propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

C[C@H]1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S2/c1-15-12-24(13-16-5-2-3-6-18(16)26-15)9-8-20(25)22-11-17-14-28-21(23-17)19-7-4-10-27-19/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,22,25)/t15-/m0/s1