N-[6-tert-butyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[6-tert-butyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[6-tert-butyl-3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[6-tert-butyl-3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[6-tert-butyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[6-tert-butyl-3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=NN4C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)14-7-8-16-18(12-14)31-22(26-20(28)17-9-10-25-27(17)4)19(16)21(29)24-13-15-6-5-11-30-15/h5-6,9-11,14H,7-8,12-13H2,1-4H3,(H,24,29)(H,26,28)