N-[3-(azepan-1-ylcarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-bromo-benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromobenzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromobenzamide Traditional Name: N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-bromo-benzamide Formula: C26H33BrN2O2S MolecularWeight: 517.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCCCCC3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCCCCC3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H33BrN2O2S/c1-26(2,3)18-10-13-20-21(16-18)32-24(28-23(30)17-8-11-19(27)12-9-17)22(20)25(31)29-14-6-4-5-7-15-29/h8-9,11-12,18H,4-7,10,13-16H2,1-3H3,(H,28,30)