N-(2-chloranyl-4,5-dimethoxy-phenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(2-chloranyl-4,5-dimethoxy-phenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(2-chloro-4,5-dimethoxy-phenyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-(2-chloro-4,5-dimethoxyphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(2-chloro-4,5-dimethoxyphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(2-chloro-4,5-dimethoxy-phenyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)Cl)OC

InChI

InChI=1S/C21H18ClNO3S/c1-25-17-10-15(22)16(11-18(17)26-2)23-21(24)19-9-13-8-7-12-5-3-4-6-14(12)20(13)27-19/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)