N-(4-bromophenyl)-6-tert-butyl-2-[2-(pyridin-3-ylmethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-6-tert-butyl-2-[2-(pyridin-3-ylmethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-6-tert-butyl-2-[[2-(3-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-6-tert-butyl-2-[[1-oxo-2-(3-pyridinylmethylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-6-tert-butyl-2-[[2-(pyridin-3-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-6-tert-butyl-2-[[2-(3-pyridylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H31BrN4O2S MolecularWeight: 555.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)CNCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)CNCC4=CN=CC=C4

InChI

InChI=1S/C27H31BrN4O2S/c1-27(2,3)18-6-11-21-22(13-18)35-26(24(21)25(34)31-20-9-7-19(28)8-10-20)32-23(33)16-30-15-17-5-4-12-29-14-17/h4-5,7-10,12,14,18,30H,6,11,13,15-16H2,1-3H3,(H,31,34)(H,32,33)