2-(heptanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(heptanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-(heptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-(1-oxoheptylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(heptanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-(enanthylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C(=O)N

Isomeric SMILES

CCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C(=O)N

InChI

InChI=1S/C21H34N2O2S/c1-5-7-8-9-10-17(24)23-20-18(19(22)25)15-12-11-14(13-16(15)26-20)21(3,4)6-2/h14H,5-13H2,1-4H3,(H2,22,25)(H,23,24)