N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)CN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)CN2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C21H24N4O2S2/c1-24-9-7-23-21(24)29-11-8-22-20(26)14-25-12-16-4-2-3-5-18(16)27-19(13-25)17-6-10-28-15-17/h2-7,9-10,15,19H,8,11-14H2,1H3,(H,22,26)/t19-/m1/s1