3,6-bis(chloranyl)-N-[[4-(diethylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[4-(diethylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[4-(diethylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[4-(diethylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[4-(diethylamino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H19Cl2N3OS2 MolecularWeight: 452.42036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3OS2/c1-3-25(4-2)14-8-6-13(7-9-14)23-20(27)24-19(26)18-17(22)15-10-5-12(21)11-16(15)28-18/h5-11H,3-4H2,1-2H3,(H2,23,24,26,27)