N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-homopiperonyl-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21NO3S/c1-12-2-5-17-14(8-12)10-18(24-17)19(21)20-7-6-13-3-4-15-16(9-13)23-11-22-15/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,20,21)