3-chloranyl-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H20ClN3O3S2 MolecularWeight: 473.9955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H20ClN3O3S2/c23-18-16-8-1-2-9-17(16)31-19(18)21(28)26-22(30)25-14-6-3-5-13(11-14)20(27)24-12-15-7-4-10-29-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,24,27)(H2,25,26,28,30)