N-[(4-aminocarbonylphenyl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[(4-carbamoylphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[(4-carbamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[(4-carbamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-(4-carbamoylbenzyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H26N2O2S/c1-21(2,3)16-8-9-17-15(10-16)11-18(26-17)20(25)23-12-13-4-6-14(7-5-13)19(22)24/h4-7,11,16H,8-10,12H2,1-3H3,(H2,22,24)(H,23,25)