6-tert-butyl-2-[(3-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[(3-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(3-pentoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[oxo-(3-pentoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(3-pentoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-amoxybenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C25H34N2O3S/c1-5-6-7-13-30-18-10-8-9-16(14-18)23(29)27-24-21(22(26)28)19-12-11-17(25(2,3)4)15-20(19)31-24/h8-10,14,17H,5-7,11-13,15H2,1-4H3,(H2,26,28)(H,27,29)