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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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