N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O3S/c1-5-25(3,4)16-11-12-17-18(13-16)32-24(20(17)22(26)29)27-23(30)19-14(2)31-28-21(19)15-9-7-6-8-10-15/h6-10,16H,5,11-13H2,1-4H3,(H2,26,29)(H,27,30)