3-chloranyl-6-methoxy-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O6S2 MolecularWeight: 509.983

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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)OC)OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O6S2/c1-28-11-5-6-12-15(9-11)33-18(16(12)22)20(27)23-21(32)25-24-19(26)10-7-13(29-2)17(31-4)14(8-10)30-3/h5-9H,1-4H3,(H,24,26)(H2,23,25,27,32)