N-(1-cyano-2-cyclohexyloxy-ethyl)-3-(1H-imidazol-5-yl)-2-[(2-oxidanylidene-1,3-benzothiazin-4-yl)amino]propanamide

Systemtic Name: N-(1-cyano-2-cyclohexyloxy-ethyl)-3-(1H-imidazol-5-yl)-2-[(2-oxidanylidene-1,3-benzothiazin-4-yl)amino]propanamide Openeye Name: N-[1-cyano-2-(cyclohexoxy)ethyl]-3-(1H-imidazol-5-yl)-2-[(2-oxo-1,3-benzothiazin-4-yl)amino]propanamide CAS Name: N-(1-cyano-2-cyclohexyloxyethyl)-3-(1H-imidazol-5-yl)-2-[(2-oxo-1,3-benzothiazin-4-yl)amino]propanamide IUPAC Name: N-(1-cyano-2-cyclohexyloxyethyl)-3-(1H-imidazol-5-yl)-2-[(2-oxo-1,3-benzothiazin-4-yl)amino]propanamide Traditional Name: N-[1-cyano-2-(cyclohexoxy)ethyl]-3-(1H-imidazol-5-yl)-2-[(2-keto-1,3-benzothiazin-4-yl)amino]propionamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC(C#N)NC(=O)C(CC2=CN=CN2)NC3=NC(=O)SC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)OCC(C#N)NC(=O)C(CC2=CN=CN2)NC3=NC(=O)SC4=CC=CC=C43

InChI

InChI=1S/C23H26N6O3S/c24-11-16(13-32-17-6-2-1-3-7-17)27-22(30)19(10-15-12-25-14-26-15)28-21-18-8-4-5-9-20(18)33-23(31)29-21/h4-5,8-9,12,14,16-17,19H,1-3,6-7,10,13H2,(H,25,26)(H,27,30)(H,28,29,31)