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

Systemtic Name: 3,6-bis(chloranyl)-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H12Cl2N4OS2 MolecularWeight: 411.32868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C16H12Cl2N4OS2/c1-7-5-8(2)20-15(19-7)22-16(24)21-14(23)13-12(18)10-4-3-9(17)6-11(10)25-13/h3-6H,1-2H3,(H2,19,20,21,22,23,24)