4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(trifluoromethyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(trifluoromethyl)phenyl]butyramide Formula: C18H15F3N2OS2 MolecularWeight: 396.44971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2OS2/c19-18(20,21)12-7-9-13(10-8-12)22-16(24)6-3-11-25-17-23-14-4-1-2-5-15(14)26-17/h1-2,4-5,7-10H,3,6,11H2,(H,22,24)