5-tert-butyl-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-[3-(methylcarbamoyl)phenyl]-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)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C21H26N2O2S/c1-21(2,3)15-8-9-17-14(10-15)12-18(26-17)20(25)23-16-7-5-6-13(11-16)19(24)22-4/h5-7,11-12,15H,8-10H2,1-4H3,(H,22,24)(H,23,25)