N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H13ClFN3O2S2 MolecularWeight: 433.906823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H13ClFN3O2S2/c20-14-10-13(6-7-15(14)21)22-17(25)11-3-1-4-12(9-11)23-19(27)24-18(26)16-5-2-8-28-16/h1-10H,(H,22,25)(H2,23,24,26,27)