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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-cyanophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-cyanophenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2-cyanoanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-cyanophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-cyanophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H9Cl2N3OS2 MolecularWeight: 406.30886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9Cl2N3OS2/c18-10-5-6-11-13(7-10)25-15(14(11)19)16(23)22-17(24)21-12-4-2-1-3-9(12)8-20/h1-7H,(H2,21,22,23,24)