6-tert-butyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[[(E)-3-(p-tolyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C23H28N2O2S/c1-14-5-7-15(8-6-14)9-12-19(26)25-22-20(21(24)27)17-11-10-16(23(2,3)4)13-18(17)28-22/h5-9,12,16H,10-11,13H2,1-4H3,(H2,24,27)(H,25,26)/b12-9+