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

Systemtic Name: 2-azanyl-6-tert-butyl-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-amino-6-tert-butyl-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-amino-6-tert-butyl-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-amino-6-tert-butyl-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-amino-6-tert-butyl-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N

InChI

InChI=1S/C21H28N2O2S/c1-5-25-15-9-7-14(8-10-15)23-20(24)18-16-11-6-13(21(2,3)4)12-17(16)26-19(18)22/h7-10,13H,5-6,11-12,22H2,1-4H3,(H,23,24)