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

Systemtic Name: N-[6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[6-tert-butyl-3-(isopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[6-tert-butyl-3-[oxo-(propan-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[6-tert-butyl-3-(isopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=NN3C

Isomeric SMILES

CC(C)NC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=NN3C

InChI

InChI=1S/C21H30N4O2S/c1-12(2)23-19(27)17-14-8-7-13(21(3,4)5)11-16(14)28-20(17)24-18(26)15-9-10-22-25(15)6/h9-10,12-13H,7-8,11H2,1-6H3,(H,23,27)(H,24,26)