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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCCSC3=CC=C(C=C3)F

InChI

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