1-[[2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[2-[(4-bromophenyl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(4-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[(4-bromophenyl)-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]isonipecotamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCC(CC3)C(=O)N)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCC(CC3)C(=O)N)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H32BrN3O3S/c1-26(2,3)17-6-9-19-20(14-17)34-24(29-23(32)16-4-7-18(27)8-5-16)21(19)25(33)30-12-10-15(11-13-30)22(28)31/h4-5,7-8,15,17H,6,9-14H2,1-3H3,(H2,28,31)(H,29,32)