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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H18ClN3O3S2/c25-20-18-8-4-5-9-19(18)33-21(20)23(30)26-24(32)28-27-22(29)16-10-12-17(13-11-16)31-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,27,29)(H2,26,28,30,32)