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

Systemtic Name: N-[6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chloranyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[6-tert-butyl-3-(isopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-chloro-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]-4-chloro-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chloro-2-methylpyrazole-3-carboxamide Traditional Name: N-[6-tert-butyl-3-(isopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-chloro-2-methyl-pyrazole-3-carboxamide Formula: C21H29ClN4O2S MolecularWeight: 436.99856

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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=C(C=NN3C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O2S/c1-11(2)24-18(27)16-13-8-7-12(21(3,4)5)9-15(13)29-20(16)25-19(28)17-14(22)10-23-26(17)6/h10-12H,7-9H2,1-6H3,(H,24,27)(H,25,28)