2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-(2-methyl-4-morpholin-4-yl-phenyl)butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-(2-methyl-4-morpholin-4-yl-phenyl)butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-(2-methyl-4-morpholino-phenyl)butanamide CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[2-methyl-4-(4-morpholinyl)phenyl]butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-(2-methyl-4-morpholino-phenyl)butyramide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C25H31N3O2S/c1-4-25(5-2,17-23-26-21-8-6-7-9-22(21)31-23)24(29)27-20-11-10-19(16-18(20)3)28-12-14-30-15-13-28/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,27,29)