3-chloranyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H16ClN3O2S2 MolecularWeight: 465.97504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H16ClN3O2S2/c24-19-17-8-4-5-9-18(17)31-20(19)22(29)25-23(30)27-26-21(28)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,26,28)(H2,25,27,29,30)