N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-[(4-fluorophenyl)thio]propionamide Formula: C23H27ClFN3O2S2 MolecularWeight: 496.060783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFN3O2S2/c1-4-27(5-2)13-14-28(20(29)12-15-31-17-8-6-16(25)7-9-17)23-26-21-19(30-3)11-10-18(24)22(21)32-23/h6-11H,4-5,12-15H2,1-3H3