3-chloranyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C25H20ClN3O3S2 MolecularWeight: 510.0276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O3S2/c1-32-17-12-13-18-19(14-17)34-22(21(18)26)24(31)27-25(33)29-28-23(30)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,28,30)(H2,27,29,31,33)