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

Systemtic Name: 3-chloranyl-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-(2-methoxyethoxy)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(2-methoxyethoxy)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H17ClN2O3S2 MolecularWeight: 420.93288

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H17ClN2O3S2/c1-24-9-10-25-13-6-4-5-12(11-13)21-19(26)22-18(23)17-16(20)14-7-2-3-8-15(14)27-17/h2-8,11H,9-10H2,1H3,(H2,21,22,23,26)