4-(1,3-benzothiazol-2-yl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(5-chloro-2-morpholino-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[5-chloro-2-(4-morpholinyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(5-chloro-2-morpholin-4-ylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(5-chloro-2-morpholino-phenyl)butyramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3O2S/c22-15-8-9-18(25-10-12-27-13-11-25)17(14-15)23-20(26)6-3-7-21-24-16-4-1-2-5-19(16)28-21/h1-2,4-5,8-9,14H,3,6-7,10-13H2,(H,23,26)