N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butyramide Formula: C23H28FN3OS2 MolecularWeight: 445.616323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3OS2/c1-4-17-7-5-8-20-22(17)25-23(30-20)27(15-14-26(2)3)21(28)9-6-16-29-19-12-10-18(24)11-13-19/h5,7-8,10-13H,4,6,9,14-16H2,1-3H3