N-(1,3-benzodioxol-5-yl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-fluorophenyl)thiazol-4-yl]methylsulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-fluorophenyl)-4-thiazolyl]methylthio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-fluorophenyl)thiazol-4-yl]methylthio]propionamide Formula: C20H17FN2O3S2 MolecularWeight: 416.488983

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCC3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCC3=CSC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN2O3S2/c21-14-3-1-13(2-4-14)20-23-16(11-28-20)10-27-8-7-19(24)22-15-5-6-17-18(9-15)26-12-25-17/h1-6,9,11H,7-8,10,12H2,(H,22,24)