N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)carbamothioyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(4-bromo-2-fluoro-phenyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C20H21BrFN3O4S2 MolecularWeight: 530.430843

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H21BrFN3O4S2/c21-15-4-7-18(17(22)13-15)23-20(30)24-19(26)8-3-14-1-5-16(6-2-14)31(27,28)25-9-11-29-12-10-25/h1-2,4-7,13H,3,8-12H2,(H2,23,24,26,30)