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

Systemtic Name: 3-chloranyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2O3S2/c22-18-16-8-1-2-9-17(16)29-19(18)20(25)24-21(28)23-13-5-3-6-14(11-13)27-12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,23,24,25,28)