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

Systemtic Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide Openeye Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(thiazol-2-ylmethyl)propanamide CAS Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(2-thiazolylmethyl)propanamide IUPAC Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide Traditional Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(thiazol-2-ylmethyl)propionamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=NC=CS3

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=NC=CS3

InChI

InChI=1S/C20H27N3O2S/c1-2-3-7-17-15-23(14-16-6-4-5-8-18(16)25-17)11-9-19(24)22-13-20-21-10-12-26-20/h4-6,8,10,12,17H,2-3,7,9,11,13-15H2,1H3,(H,22,24)/t17-/m0/s1