N-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-veratryl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3S/c1-25-18-10-7-14(11-19(18)26-2)13-23-22(24)20-12-16-9-8-15-5-3-4-6-17(15)21(16)27-20/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24)