4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholinophenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(4-morpholinyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-morpholinophenyl)butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S2/c25-20(6-3-15-27-21-23-18-4-1-2-5-19(18)28-21)22-16-7-9-17(10-8-16)24-11-13-26-14-12-24/h1-2,4-5,7-10H,3,6,11-15H2,(H,22,25)