2-(1-adamantylcarbonylamino)-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(1-adamantylcarbonylamino)-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(adamantane-1-carbonylamino)-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(adamantane-1-carbonylamino)-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(adamantane-1-carbonylamino)-N-o-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N2O3S/c1-2-33-22-9-5-4-8-21(22)29-25(31)24-20-7-3-6-10-23(20)34-26(24)30-27(32)28-14-17-11-18(15-28)13-19(12-17)16-28/h4-5,8-9,17-19H,2-3,6-7,10-16H2,1H3,(H,29,31)(H,30,32)