N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]propionamide Formula: C22H26FN3O2S2 MolecularWeight: 447.589143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2S2/c1-4-28-18-6-5-7-19-21(18)24-22(30-19)26(14-13-25(2)3)20(27)12-15-29-17-10-8-16(23)9-11-17/h5-11H,4,12-15H2,1-3H3