3-chloranyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H16ClN3O3S2 MolecularWeight: 469.96374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C22H16ClN3O3S2/c23-18-16-5-1-2-6-17(16)31-19(18)21(28)26-22(30)25-14-9-7-13(8-10-14)20(27)24-12-15-4-3-11-29-15/h1-11H,12H2,(H,24,27)(H2,25,26,28,30)