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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide Traditional Name: N-[3-(azepane-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H36N2O2S/c1-18-9-11-19(12-10-18)24(30)28-25-23(26(31)29-15-7-5-6-8-16-29)21-14-13-20(27(2,3)4)17-22(21)32-25/h9-12,20H,5-8,13-17H2,1-4H3,(H,28,30)