N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[6-tert-butyl-3-[(4-ethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonipecotamide Formula: C29H39N3O3S MolecularWeight: 509.70326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4CCN(CC4)C(=O)C

InChI

InChI=1S/C29H39N3O3S/c1-6-19-7-10-22(11-8-19)30-27(35)25-23-12-9-21(29(3,4)5)17-24(23)36-28(25)31-26(34)20-13-15-32(16-14-20)18(2)33/h7-8,10-11,20-21H,6,9,12-17H2,1-5H3,(H,30,35)(H,31,34)