N-[(6R)-3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[(6R)-6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H30N2O3S/c1-4-28(2,3)16-13-14-19-22(15-16)34-27(24(19)25(29)31)30-26(32)23-17-9-5-7-11-20(17)33-21-12-8-6-10-18(21)23/h5-12,16,23H,4,13-15H2,1-3H3,(H2,29,31)(H,30,32)/t16-/m1/s1