3-chloranyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

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

InChI

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