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

Systemtic Name: 3-chloranyl-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S2/c1-27-10-9-22-18(25)12-5-4-6-13(11-12)23-20(28)24-19(26)17-16(21)14-7-2-3-8-15(14)29-17/h2-8,11H,9-10H2,1H3,(H,22,25)(H2,23,24,26,28)