N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propionamide Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H18FN3O4S/c1-12(26)23-14-4-5-15(16(22)9-14)17-10-30-21(24-17)25-20(27)7-3-13-2-6-18-19(8-13)29-11-28-18/h2,4-6,8-10H,3,7,11H2,1H3,(H,23,26)(H,24,25,27)