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

Systemtic Name: 3-chloranyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S2/c1-3-25(4-2)20(27)13-8-7-9-14(12-13)23-21(28)24-19(26)18-17(22)15-10-5-6-11-16(15)29-18/h5-12H,3-4H2,1-2H3,(H2,23,24,26,28)