4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloranyl-4-fluoranyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloranyl-4-fluoranyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-fluoro-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-chloro-4-fluorophenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-fluorophenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-chloro-4-fluoro-phenyl)butyramide Formula: C17H14ClFN2OS2 MolecularWeight: 380.887263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H14ClFN2OS2/c18-12-10-11(7-8-13(12)19)20-16(22)6-3-9-23-17-21-14-4-1-2-5-15(14)24-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,22)