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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-homoveratryl-N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C24H25NO3S/c1-25(13-12-16-8-11-20(27-2)21(14-16)28-3)24(26)22-15-18-10-9-17-6-4-5-7-19(17)23(18)29-22/h4-8,11,14-15H,9-10,12-13H2,1-3H3