N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H28FN3O2S2 MolecularWeight: 461.615723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28FN3O2S2/c1-4-26(5-2)14-15-27(23-25-22-19(24)7-6-8-20(22)31-23)21(28)13-16-30-18-11-9-17(29-3)10-12-18/h6-12H,4-5,13-16H2,1-3H3