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

Systemtic Name: N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[6-ethyl-3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[6-ethyl-3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[6-ethyl-3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=NN4C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C21H24N4O3S/c1-3-13-6-7-15-17(11-13)29-21(24-19(26)16-8-9-23-25(16)2)18(15)20(27)22-12-14-5-4-10-28-14/h4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,22,27)(H,24,26)