3-chloranyl-6-methoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H18ClN3O3S2 MolecularWeight: 496.00102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H18ClN3O3S2/c1-31-17-11-12-18-19(13-17)33-21(20(18)25)23(30)26-24(32)28-27-22(29)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,27,29)(H2,26,28,30,32)