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

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-iodophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4-iodophenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(4-iodoanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4-iodophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-iodophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H9Cl2IN2OS2 MolecularWeight: 507.19593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)I

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)I

InChI

InChI=1S/C16H9Cl2IN2OS2/c17-8-1-6-11-12(7-8)24-14(13(11)18)15(22)21-16(23)20-10-4-2-9(19)3-5-10/h1-7H,(H2,20,21,22,23)