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

Systemtic Name: 3-chloranyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClN2O3S2/c1-2-25-10-11-26-14-7-5-6-13(12-14)22-20(27)23-19(24)18-17(21)15-8-3-4-9-16(15)28-18/h3-9,12H,2,10-11H2,1H3,(H2,22,23,24,27)